4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid

C15H15NO3S — CID 43358625

IUPAC4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
SMILESCCc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)s1
InChIInChI=1S/C15H15NO3S/c1-2-12-7-8-13(20-12)14(17)16-9-10-3-5-11(6-4-10)15(18)19/h3-8H,2,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyPZHHOAOIUHQZFM-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.94
Rot. Bonds5

About 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid

4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid (PubChem CID 43358625) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
PubChem CID43358625
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
SMILESCCc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)s1
InChIInChI=1S/C15H15NO3S/c1-2-12-7-8-13(20-12)14(17)16-9-10-3-5-11(6-4-10)15(18)19/h3-8H,2,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyPZHHOAOIUHQZFM-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic 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

5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 55083965
3-[(5-ethylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81368751
4-[3-[(5-ethylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119181228
N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
CID 143246003
4-[(5-ethylthiophene-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001322
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
CID 43358861
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
4-(benzamidomethyl)benzoic acid
CID 10879683
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid (CID 43358625) is 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid is CCc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)s1.
What is the InChIKey of 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid?
The InChIKey is PZHHOAOIUHQZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-12-7-8-13(20-12)14(17)16-9-10-3-5-11(6-4-10)15(18)19/h3-8H,2,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid?
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid has a molecular weight of 289.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 43358625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).