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

C13H10ClNO3S — CID 5204001

IUPACmethyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO3S/c1-18-13(17)11-10(6-7-19-11)15-12(16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyMLBNGTYWDGBTID-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.44
Rot. Bonds3

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

methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate (PubChem CID 5204001) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate
PubChem CID5204001
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Namemethyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO3S/c1-18-13(17)11-10(6-7-19-11)15-12(16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyMLBNGTYWDGBTID-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate (CID 5204001) is methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is MLBNGTYWDGBTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c1-18-13(17)11-10(6-7-19-11)15-12(16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 295.75 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 5204001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).