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Molecule
Amenamevir
CAS: 841301-32-4 · C24H26N4O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 841301-32-4
- Molecular Formula
- C24H26N4O5S
- Molecular Mass
- 482.56 g/mol
Identifiers
CAS Registry Number
841301-32-4
SMILES
Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1
InChI Key
MNHNIVNAFBSLLX-UHFFFAOYSA-N
InChI
InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)
Names and Synonyms
- Amenamevir Common Name
- 2H-Thiopyran-4-carboxamide, N-(2,6-dimethylphenyl)tetrahydro-N-[2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]amino]-2-oxoethyl]-, 1,1-dioxide Synonym
- Amenamevir Synonym
- ASP 2151 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 482.56 g/mol | CAS Common Chemistry |
| 482.5620000000003 g/mol | RDKit | |
| 482.562 g/mol | RDKit | |
| 513.478 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC=1C=CC(=CC1)C2=NOC=N2)CN(C(=O)C3CCS(=O)(=O)CC3)C=4C(=CC=CC4C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29) | CAS Common Chemistry |
| InChI Key | InChIKey=MNHNIVNAFBSLLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Amenamevir | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 122.47 Ų | RDKit |
| LogP | 3.1499400000000017 | RDKit |
| 3.1499 | RDKit | |
| 3.2 | chempirical lib | |
| Molar Refractivity | 128.01050000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.35 | chempirical lib | |
| Exact Mass | 482.16239093199994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 482.56 g/mol. Edit any field — others recompute live.
