2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid

C15H15NO3S — CID 62534584

IUPAC2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2CC(=O)O)sc1C
InChIInChI=1S/C15H15NO3S/c1-9-7-13(20-10(9)2)15(19)16-12-6-4-3-5-11(12)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVEDSSTVIIKVTIZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.24
Rot. Bonds4

About 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid

2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 62534584) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
PubChem CID62534584
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2CC(=O)O)sc1C
InChIInChI=1S/C15H15NO3S/c1-9-7-13(20-10(9)2)15(19)16-12-6-4-3-5-11(12)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVEDSSTVIIKVTIZ-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

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Related Compounds

2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
CID 62534196
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061609
4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 37172802
N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 86999840
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
CID 119353158
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
N-[2-(methoxymethyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 47047327
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 110900176
5-(3-aminoprop-1-ynyl)-N-(2-ethylphenyl)-4-methylthiophene-2-carboxamide
CID 79977855
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid (CID 62534584) is 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid is Cc1cc(C(=O)Nc2ccccc2CC(=O)O)sc1C.
What is the InChIKey of 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is VEDSSTVIIKVTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-7-13(20-10(9)2)15(19)16-12-6-4-3-5-11(12)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid?
2-[2-[(4,5-dimethylthiophene-2-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-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62534584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).