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

C13H11NO4S — CID 43112154

IUPACmethyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H11NO4S/c1-18-13(17)11-10(6-7-19-11)14-12(16)8-2-4-9(15)5-3-8/h2-7,15H,1H3,(H,14,16)
InChIKeyMPKXOWBPABLIED-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.49
Rot. Bonds3

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

methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate (PubChem CID 43112154) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
PubChem CID43112154
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Namemethyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H11NO4S/c1-18-13(17)11-10(6-7-19-11)14-12(16)8-2-4-9(15)5-3-8/h2-7,15H,1H3,(H,14,16)
InChIKeyMPKXOWBPABLIED-UHFFFAOYSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-(bromomethyl)benzoyl]amino]thiophene-2-carboxylate
CID 102850860
methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
CID 43608097
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 103714210
methyl 3-[[4-(3-methylbutoxy)benzoyl]amino]thiophene-2-carboxylate
CID 26704899
methyl 3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 43408056
methyl 3-(2H-benzotriazole-5-carbonylamino)thiophene-2-carboxylate
CID 43422543
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate
CID 2823273
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate (CID 43112154) is methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(O)cc1.
What is the InChIKey of methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is MPKXOWBPABLIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-18-13(17)11-10(6-7-19-11)14-12(16)8-2-4-9(15)5-3-8/h2-7,15H,1H3,(H,14,16).
What are the key properties of methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 43112154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).