1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid

C15H19NO6S — CID 120684633

IUPAC1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H19NO6S/c1-22-12-6-5-10(23(2,20)21)9-11(12)13(17)16-15(14(18)19)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPCKPIUUGPFLWHH-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.23
Rot. Bonds5

About 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120684633) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120684633
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC Name1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H19NO6S/c1-22-12-6-5-10(23(2,20)21)9-11(12)13(17)16-15(14(18)19)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPCKPIUUGPFLWHH-UHFFFAOYSA-N
XLogP1.23
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methoxy-5-methylsulfonylbenzoyl)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-[(2-methyl-5-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 75460812
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 120686845
1-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120690142
3-ethoxy-1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700548
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222
1-(2-methoxy-4-methylsulfonylphenyl)cyclohexane-1-carboxylic acid
CID 117497681
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-3-methylpentanoic acid
CID 120686652
3-[4-[(2-methoxy-5-methylsulfonylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 120690055

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120684633) is 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid is COc1ccc(S(C)(=O)=O)cc1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PCKPIUUGPFLWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-22-12-6-5-10(23(2,20)21)9-11(12)13(17)16-15(14(18)19)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 341.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120684633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).