2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid

C13H11NO5S — CID 107688003

IUPAC2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2c(O)cccc2O)s1
InChIInChI=1S/C13H11NO5S/c1-6-5-7(13(18)19)12(20-6)14-11(17)10-8(15)3-2-4-9(10)16/h2-5,15-16H,1H3,(H,14,17)(H,18,19)
InChIKeyPXCYFQBPMSKKCS-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid

2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 107688003) has the molecular formula C13H11NO5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID107688003
Molecular FormulaC13H11NO5S
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2c(O)cccc2O)s1
InChIInChI=1S/C13H11NO5S/c1-6-5-7(13(18)19)12(20-6)14-11(17)10-8(15)3-2-4-9(10)16/h2-5,15-16H,1H3,(H,14,17)(H,18,19)
InChIKeyPXCYFQBPMSKKCS-UHFFFAOYSA-N
XLogP2.42
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55249925
5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615336
2-[(2,5-dibromobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 114368033
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid (CID 107688003) is 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2c(O)cccc2O)s1.
What is the InChIKey of 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is PXCYFQBPMSKKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S/c1-6-5-7(13(18)19)12(20-6)14-11(17)10-8(15)3-2-4-9(10)16/h2-5,15-16H,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 107688003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).