chempirical

Lafutidine

C22H29N3O4SCAS 118288-08-7431.55 g/mol

Open in Covalent MOL file
OSONHONNO
AlkeneEtherSulfoxideTertiary amine

Properties

Molecular formula
C22H29N3O4S
Molar mass
431.55 g/mol
Exact mass
431.1879 Da
logP
3.50Crippen estimate
Polar surface area
88.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
11

Identifiers

CAS number
118288-08-7
SMILES
O=S(CC(O)=NC/C=CCOc1cc(CN2CCCCC2)ccn1)Cc1ccco1
InChIKey
KMZQAVXSMUKBPD-DJWKRKHSNA-N
InChI
InChI=1/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Acetamide, 2-[(2-furanylmethyl)sulfinyl]-N-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (+)-
  • Acetamide, 2-[(2-furanylmethyl)sulfinyl]-N-[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]-, (Z)-(+)-
  • Acetamide, 2-[(2-furanylmethyl)sulfinyl]-N-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]-, (+)-
  • (+)-2-[(2-Furanylmethyl)sulfinyl]-N-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]acetamide
  • FRG 8813
  • Laflutidine
  • (+)-2-(Furfurylsulfinyl)-N-[(Z)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]-2-butenyl]acetamide
  • (+)-Lafutidine
  • Stogar
  • Protecadin
  • Lafukem

Work with Lafutidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine118288-25-847 % similar 1H-Isoindole-1,3(2H)-dione, 2-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (2Z)-2-butenedioate (1:1)146447-26-946 % similar Roxatidine78273-80-034 % similar Roxatidine acetate78628-28-134 % similar Roxatidine acetate hydrochloride93793-83-033 % similar 4-Nitrophenyl 2-[(2-furanylmethyl)sulfinyl]acetate123855-55-030 % similar 2-Bromo-4-(1-piperidinylmethyl)pyridine88046-02-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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