methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate

C13H10ClNO4S — CID 167763040

IUPACmethyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H10ClNO4S/c1-19-13(18)9-4-5-20-12(9)15-11(17)8-3-2-7(14)6-10(8)16/h2-6,16H,1H3,(H,15,17)
InChIKeyFXBALKZWSAKOMT-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.15
Rot. Bonds3

About methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate

methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate (PubChem CID 167763040) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
PubChem CID167763040
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Namemethyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H10ClNO4S/c1-19-13(18)9-4-5-20-12(9)15-11(17)8-3-2-7(14)6-10(8)16/h2-6,16H,1H3,(H,15,17)
InChIKeyFXBALKZWSAKOMT-UHFFFAOYSA-N
XLogP3.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 119655351
4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
CID 119491528
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 110471808
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
CID 55812102
2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 119462858
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
methyl 4-chloro-2-[2-[(4-chloro-2-hydroxybenzoyl)amino]phenyl]sulfonyloxybenzoate
CID 59759944
methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 7166879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate (CID 167763040) is methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is FXBALKZWSAKOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-19-13(18)9-4-5-20-12(9)15-11(17)8-3-2-7(14)6-10(8)16/h2-6,16H,1H3,(H,15,17).
What are the key properties of methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate?
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 311.75 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 167763040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).