3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide

C19H20FNOS — CID 55462573

IUPAC3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C19H20FNOS/c20-16-7-9-17(10-8-16)23-14-11-18(22)21-19(12-4-13-19)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,21,22)
InChIKeyGBFDXLJZQSMNKT-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.50
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide

3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide (PubChem CID 55462573) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide
PubChem CID55462573
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C19H20FNOS/c20-16-7-9-17(10-8-16)23-14-11-18(22)21-19(12-4-13-19)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,21,22)
InChIKeyGBFDXLJZQSMNKT-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-fluorophenyl)sulfanylpropanoylamino]cyclopentane-1-carboxylic acid
CID 43351108
5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
CID 110442660
2-(4-fluorophenoxy)-N-(1-phenylcyclobutyl)acetamide
CID 51264441
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
N-(1-phenylcyclohexyl)butanamide
CID 110478581
1-(3-phenylsulfanylpropanoylamino)cyclopropane-1-carboxylic acid
CID 65453250
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide (CID 55462573) is 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide is O=C(CCSc1ccc(F)cc1)NC1(c2ccccc2)CCC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide?
The InChIKey is GBFDXLJZQSMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNOS/c20-16-7-9-17(10-8-16)23-14-11-18(22)21-19(12-4-13-19)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide?
3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide is sourced from PubChem (CID 55462573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).