1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid

C14H17NO3S — CID 43351071

IUPAC1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCSc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H17NO3S/c1-19-11-6-4-10(5-7-11)12(16)15-14(13(17)18)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyHWKWZBLPBFLPJQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.54
Rot. Bonds4

About 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43351071) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43351071
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCSc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H17NO3S/c1-19-11-6-4-10(5-7-11)12(16)15-14(13(17)18)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyHWKWZBLPBFLPJQ-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43351099
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
2-methyl-1-[(4-methylsulfanylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61293398
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351170
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 43351071) is 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid is CSc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HWKWZBLPBFLPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-19-11-6-4-10(5-7-11)12(16)15-14(13(17)18)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).