2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

C13H16BrNO3S — CID 82759782

IUPAC2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC2(C)C(=O)O)sc1Br
InChIInChI=1S/C13H16BrNO3S/c1-7-6-8(19-10(7)14)11(16)15-9-4-3-5-13(9,2)12(17)18/h6,9H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDWUMTLNIDXHRAP-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.19
Rot. Bonds3

About 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82759782) has the molecular formula C13H16BrNO3S and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82759782
Molecular FormulaC13H16BrNO3S
Molecular Weight346.25 g/mol
Exact Mass345.00
IUPAC Name2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC2(C)C(=O)O)sc1Br
InChIInChI=1S/C13H16BrNO3S/c1-7-6-8(19-10(7)14)11(16)15-9-4-3-5-13(9,2)12(17)18/h6,9H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDWUMTLNIDXHRAP-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759937
2-[(5-bromothiophene-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760095
1-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 83211818
2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765647
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759881
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760105
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763308
2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760834

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82759782) is 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is Cc1cc(C(=O)NC2CCCC2(C)C(=O)O)sc1Br.
What is the InChIKey of 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is DWUMTLNIDXHRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3S/c1-7-6-8(19-10(7)14)11(16)15-9-4-3-5-13(9,2)12(17)18/h6,9H,3-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 346.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82759782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).