3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid

C13H10ClNO4S — CID 114914998

IUPAC3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H10ClNO4S/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-3-2-7(14)4-9(8)16/h2-5,16H,1H3,(H,15,17)(H,18,19)
InChIKeyNVLMEIYQIKDPRA-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.37
Rot. Bonds3

About 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid

3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114914998) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114914998
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H10ClNO4S/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-3-2-7(14)4-9(8)16/h2-5,16H,1H3,(H,15,17)(H,18,19)
InChIKeyNVLMEIYQIKDPRA-UHFFFAOYSA-N
XLogP3.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914774
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915817
methyl 3-[(4-chloro-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610428
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610456
3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 107731465
methyl 3-[(2-amino-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914491
3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914930
3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914845
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
3-[(3-bromo-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914888

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid (CID 114914998) is 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is NVLMEIYQIKDPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-3-2-7(14)4-9(8)16/h2-5,16H,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 311.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).