2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid

C14H19NO3S — CID 63614356

IUPAC2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C14H19NO3S/c1-9-8-11(14(17)18)13(19-9)15-12(16)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyRWUKGKZMNMCUFH-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.66
Rot. Bonds5

About 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid

2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid (PubChem CID 63614356) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid
PubChem CID63614356
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C14H19NO3S/c1-9-8-11(14(17)18)13(19-9)15-12(16)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyRWUKGKZMNMCUFH-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-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

2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92761246
2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid
CID 43357298
4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
CID 63116323
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 63615979
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 55249535
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065351

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid (CID 63614356) is 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)CCC2CCCC2)s1.
What is the InChIKey of 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid?
The InChIKey is RWUKGKZMNMCUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-8-11(14(17)18)13(19-9)15-12(16)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid?
2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63614356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).