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

C15H15NO4S — CID 60831132

IUPAC2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)c2ccc(O)cc2)sc1C
InChIInChI=1S/C15H15NO4S/c1-9-7-13(21-10(9)2)15(20)16(8-14(18)19)11-3-5-12(17)6-4-11/h3-7,17H,8H2,1-2H3,(H,18,19)
InChIKeyBLBLFZIIOVOTNG-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.80
Rot. Bonds4

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

2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid (PubChem CID 60831132) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid
PubChem CID60831132
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)c2ccc(O)cc2)sc1C
InChIInChI=1S/C15H15NO4S/c1-9-7-13(21-10(9)2)15(20)16(8-14(18)19)11-3-5-12(17)6-4-11/h3-7,17H,8H2,1-2H3,(H,18,19)
InChIKeyBLBLFZIIOVOTNG-UHFFFAOYSA-N
XLogP2.80
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid (CID 60831132) is 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid is Cc1cc(C(=O)N(CC(=O)O)c2ccc(O)cc2)sc1C.
What is the InChIKey of 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid?
The InChIKey is BLBLFZIIOVOTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-7-13(21-10(9)2)15(20)16(8-14(18)19)11-3-5-12(17)6-4-11/h3-7,17H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid?
2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 60831132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).