2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid

C13H11NO4S — CID 107674668

IUPAC2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2sccc2C(=O)O)ccc1O
InChIInChI=1S/C13H11NO4S/c1-7-6-8(2-3-10(7)15)11(16)14-12-9(13(17)18)4-5-19-12/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyPQPWSFDAVLYWDO-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.71
Rot. Bonds3

About 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid

2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 107674668) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID107674668
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2sccc2C(=O)O)ccc1O
InChIInChI=1S/C13H11NO4S/c1-7-6-8(2-3-10(7)15)11(16)14-12-9(13(17)18)4-5-19-12/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyPQPWSFDAVLYWDO-UHFFFAOYSA-N
XLogP2.71
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171537
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921362
2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
CID 60858679
3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 107674941
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357351
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 28973919
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid (CID 107674668) is 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid is Cc1cc(C(=O)Nc2sccc2C(=O)O)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is PQPWSFDAVLYWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-7-6-8(2-3-10(7)15)11(16)14-12-9(13(17)18)4-5-19-12/h2-6,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid?
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 107674668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).