4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid

C18H25NO3S — CID 120535030

IUPAC4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid
SMILESCc1ccc(SC2CCCC2)c(C(=O)NC(C)CCC(=O)O)c1
InChIInChI=1S/C18H25NO3S/c1-12-7-9-16(23-14-5-3-4-6-14)15(11-12)18(22)19-13(2)8-10-17(20)21/h7,9,11,13-14H,3-6,8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIOUYMPSQASCMJV-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.01
Rot. Bonds7

About 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid

4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid (PubChem CID 120535030) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid
PubChem CID120535030
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid
SMILESCc1ccc(SC2CCCC2)c(C(=O)NC(C)CCC(=O)O)c1
InChIInChI=1S/C18H25NO3S/c1-12-7-9-16(23-14-5-3-4-6-14)15(11-12)18(22)19-13(2)8-10-17(20)21/h7,9,11,13-14H,3-6,8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIOUYMPSQASCMJV-UHFFFAOYSA-N
XLogP4.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic 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

2-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]propanoic acid
CID 120523708
2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 75446106
2-[2-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 120526686
2-[4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]phenyl]acetic acid
CID 120537819
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]pentanoic acid
CID 120689364
4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308129
4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
CID 120534855
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
2-[(2-bromo-5-methylbenzoyl)amino]pentanedioic acid
CID 81110365
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534817

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid (CID 120535030) is 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid is Cc1ccc(SC2CCCC2)c(C(=O)NC(C)CCC(=O)O)c1.
What is the InChIKey of 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid?
The InChIKey is IOUYMPSQASCMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-12-7-9-16(23-14-5-3-4-6-14)15(11-12)18(22)19-13(2)8-10-17(20)21/h7,9,11,13-14H,3-6,8,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid?
4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid has a molecular weight of 335.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 120535030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).