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

C13H11NO4S — CID 55247796

IUPAC2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C13H11NO4S/c1-7-6-9(13(17)18)12(19-7)14-11(16)8-4-2-3-5-10(8)15/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyWKBJOIQXHLEEIG-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.71
Rot. Bonds3

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

2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 55247796) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID55247796
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C13H11NO4S/c1-7-6-9(13(17)18)12(19-7)14-11(16)8-4-2-3-5-10(8)15/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyWKBJOIQXHLEEIG-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-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852
2-[(2,5-dibromobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 114368033
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 63617001
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 63615979
5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid
CID 63616153
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid (CID 55247796) is 2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2ccccc2O)s1.
What is the InChIKey of 2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is WKBJOIQXHLEEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-7-6-9(13(17)18)12(19-7)14-11(16)8-4-2-3-5-10(8)15/h2-6,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-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-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 55247796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).