N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide

C19H20FNO2S — CID 55615222

IUPACN-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C19H20FNO2S/c1-23-17-11-10-13(20)12-15(17)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)
InChIKeyLPFCURIADPCINS-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.12
Rot. Bonds5

About N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide

N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide (PubChem CID 55615222) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide
PubChem CID55615222
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C19H20FNO2S/c1-23-17-11-10-13(20)12-15(17)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)
InChIKeyLPFCURIADPCINS-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)-3-fluoro-4-methoxybenzamide
CID 31915342
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
N-(2-cyclopentylsulfanylphenyl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 43074199
N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 55873145
N-(2-cyclopentylsulfanylphenyl)-2-(3-fluorophenyl)acetamide
CID 32558856
N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide
CID 55912817
N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
CID 26181019
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
CID 81083432
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 22145771

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide (CID 55615222) is N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide?
The InChIKey is LPFCURIADPCINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-23-17-11-10-13(20)12-15(17)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)-5-fluoro-2-methoxybenzamide?
N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-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)-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 55615222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).