2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid

C13H11NO5S — CID 81118004

IUPAC2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
SMILESCOc1ccsc1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H11NO5S/c1-19-10-4-5-20-11(10)12(16)14-7-2-3-8(13(17)18)9(15)6-7/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyAGTLVYIQSFOGJE-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.41
Rot. Bonds4

About 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid

2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid (PubChem CID 81118004) has the molecular formula C13H11NO5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
PubChem CID81118004
Molecular FormulaC13H11NO5S
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
SMILESCOc1ccsc1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H11NO5S/c1-19-10-4-5-20-11(10)12(16)14-7-2-3-8(13(17)18)9(15)6-7/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyAGTLVYIQSFOGJE-UHFFFAOYSA-N
XLogP2.41
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126498
2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114184
3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride
CID 119581048
5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 63802750
4-[(3,4-dimethoxybenzoyl)carbamothioylamino]-2-hydroxybenzoic acid
CID 28688479
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 75369910
4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 43823123
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid (CID 81118004) is 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid is COc1ccsc1C(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is AGTLVYIQSFOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S/c1-19-10-4-5-20-11(10)12(16)14-7-2-3-8(13(17)18)9(15)6-7/h2-6,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 293.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81118004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).