1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H14BrNO4S — CID 120515069

IUPAC1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C(=O)O)CCCC2)sc1Br
InChIInChI=1S/C12H14BrNO4S/c1-18-7-6-8(19-9(7)13)10(15)14-12(11(16)17)4-2-3-5-12/h6H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyAXVCUXOAOYADIX-UHFFFAOYSA-N
MW348.22 g/mol
LogP2.65
Rot. Bonds4

About 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120515069) has the molecular formula C12H14BrNO4S and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120515069
Molecular FormulaC12H14BrNO4S
Molecular Weight348.22 g/mol
Exact Mass346.98
IUPAC Name1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C(=O)O)CCCC2)sc1Br
InChIInChI=1S/C12H14BrNO4S/c1-18-7-6-8(19-9(7)13)10(15)14-12(11(16)17)4-2-3-5-12/h6H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyAXVCUXOAOYADIX-UHFFFAOYSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromo-4-methoxythiophene-2-carbonyl)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-[(4,5-dibromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239155
1-[(5-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341656
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 120521147
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
1-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56799138
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 130684536
1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239137
6-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]hexanoic acid
CID 120522496

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120515069) is 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid is COc1cc(C(=O)NC2(C(=O)O)CCCC2)sc1Br.
What is the InChIKey of 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AXVCUXOAOYADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4S/c1-18-7-6-8(19-9(7)13)10(15)14-12(11(16)17)4-2-3-5-12/h6H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 348.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120515069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).