2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid

C15H15NO3S — CID 62534196

IUPAC2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2CC(=O)O)c(C)s1
InChIInChI=1S/C15H15NO3S/c1-9-7-12(10(2)20-9)15(19)16-13-6-4-3-5-11(13)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBUTWETMLNMGIDG-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.24
Rot. Bonds4

About 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid

2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 62534196) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
PubChem CID62534196
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2CC(=O)O)c(C)s1
InChIInChI=1S/C15H15NO3S/c1-9-7-12(10(2)20-9)15(19)16-13-6-4-3-5-11(13)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBUTWETMLNMGIDG-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic 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

N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 9327727
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]phenyl]acetic acid
CID 62535909
N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 29203485
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 43034383
2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 66335090
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid (CID 62534196) is 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid is Cc1cc(C(=O)Nc2ccccc2CC(=O)O)c(C)s1.
What is the InChIKey of 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is BUTWETMLNMGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-7-12(10(2)20-9)15(19)16-13-6-4-3-5-11(13)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid?
2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 289.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62534196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).