N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide

C19H20FNO2S — CID 31915342

IUPACN-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2SC2CCCC2)cc1F
InChIInChI=1S/C19H20FNO2S/c1-23-17-11-10-13(12-15(17)20)19(22)21-16-8-4-5-9-18(16)24-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,22)
InChIKeySFKNPRLKJSWTMW-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.12
Rot. Bonds5

About N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide

N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide (PubChem CID 31915342) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide
PubChem CID31915342
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2SC2CCCC2)cc1F
InChIInChI=1S/C19H20FNO2S/c1-23-17-11-10-13(12-15(17)20)19(22)21-16-8-4-5-9-18(16)24-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,22)
InChIKeySFKNPRLKJSWTMW-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide
CID 55615222
N-(2-cyclopentylsulfanylphenyl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 43074199
N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 86992494
N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
CID 62919051
4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 4864816
N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 32559097
1-(2-cyclopentylsulfanylphenyl)-3-[(3,4-dihydroxybenzoyl)amino]urea
CID 119050823
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide (CID 31915342) is N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2SC2CCCC2)cc1F.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is SFKNPRLKJSWTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-23-17-11-10-13(12-15(17)20)19(22)21-16-8-4-5-9-18(16)24-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,22).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide?
N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 345.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 31915342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).