2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid

C15H15NO3S — CID 60831160

IUPAC2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C15H15NO3S/c1-10-8-13(20-11(10)2)15(19)16(9-14(17)18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyVMZPMEDZRZTDQX-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.10
Rot. Bonds4

About 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid

2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid (PubChem CID 60831160) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
PubChem CID60831160
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C15H15NO3S/c1-10-8-13(20-11(10)2)15(19)16(9-14(17)18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyVMZPMEDZRZTDQX-UHFFFAOYSA-N
XLogP3.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid
CID 60831132
N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 107736172
N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 65237675
2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid
CID 60830300
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide
CID 46546277
N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide
CID 65237112
5-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-phenylthiophene-2-carboxamide
CID 79977273
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide
CID 17499352

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid (CID 60831160) is 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid is Cc1cc(C(=O)N(CC(=O)O)c2ccccc2)sc1C.
What is the InChIKey of 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid?
The InChIKey is VMZPMEDZRZTDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-8-13(20-11(10)2)15(19)16(9-14(17)18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid?
2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid has a molecular weight of 289.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).