5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid

C13H11NO4S — CID 16778237

IUPAC5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccc(O)c2)sc1C(=O)O
InChIInChI=1S/C13H11NO4S/c1-7-5-10(19-11(7)13(17)18)14-12(16)8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyGEESLDBRMUAUIB-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.71
Rot. Bonds3

About 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 16778237) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID16778237
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccc(O)c2)sc1C(=O)O
InChIInChI=1S/C13H11NO4S/c1-7-5-10(19-11(7)13(17)18)14-12(16)8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyGEESLDBRMUAUIB-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

3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376
5-[[3-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43171275
5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16771317
3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691
3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048
5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 16773361
5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356648
3-methyl-5-[(3,4,5-trifluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 63183797
5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 43356641
3-[(3-hydroxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16773315

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 16778237) is 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2cccc(O)c2)sc1C(=O)O.
What is the InChIKey of 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is GEESLDBRMUAUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-7-5-10(19-11(7)13(17)18)14-12(16)8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-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 5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16778237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).