methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate

C13H10ClNO4S — CID 28881765

IUPACmethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H10ClNO4S/c1-19-13(18)11-9(4-5-20-11)15-12(17)8-6-7(14)2-3-10(8)16/h2-6,16H,1H3,(H,15,17)
InChIKeyNUQIOYHOWPQRII-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.15
Rot. Bonds3

About methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate

methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate (PubChem CID 28881765) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
PubChem CID28881765
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Namemethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H10ClNO4S/c1-19-13(18)11-9(4-5-20-11)15-12(17)8-6-7(14)2-3-10(8)16/h2-6,16H,1H3,(H,15,17)
InChIKeyNUQIOYHOWPQRII-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

methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915817
methyl 3-[(4-amino-2-chlorobenzoyl)amino]thiophene-2-carboxylate
CID 29008479
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
CID 1488645
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
CID 108767153
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 103714210
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
CID 107371771
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
CID 167763040
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate (CID 28881765) is methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is NUQIOYHOWPQRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-19-13(18)11-9(4-5-20-11)15-12(17)8-6-7(14)2-3-10(8)16/h2-6,16H,1H3,(H,15,17).
What are the key properties of methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-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 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 28881765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).