methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate

C13H10ClNO3S — CID 1245941

IUPACmethyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO3S/c1-18-13(17)8-4-2-3-5-9(8)15-12(16)10-6-7-11(14)19-10/h2-7H,1H3,(H,15,16)
InChIKeyZFFZPPVVPIRPDQ-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.44
Rot. Bonds3

About methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate

methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate (PubChem CID 1245941) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate
PubChem CID1245941
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Namemethyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO3S/c1-18-13(17)8-4-2-3-5-9(8)15-12(16)10-6-7-11(14)19-10/h2-7H,1H3,(H,15,16)
InChIKeyZFFZPPVVPIRPDQ-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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Related Compounds

Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
CID 2777492
2-(Thiophene-2-amido)benzoic acid
CID 643302
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-thiophene-2-carboxylic acid methyl ester
CID 2807754
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
2-Acetamido-5-chlorobenzoic Acid Methyl Ester
CID 4640571
Methyl 2amino5[(3chloro4methylphenyl)carbamoyl]4methylthiophene3carboxylate (Inh 7)
CID 808903
3-(2-Chlorobenzamido)thiophene-2-carboxylic acid
CID 1485386
Methyl 3-[(3-chlorobenzoyl)amino]-2-thiophenecarboxylate
CID 2163771
Methyl 3-[(4-chlorobenzoyl)amino]-4-methyl-2-thiophenecarboxylate
CID 2807956
Methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 2808343

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate (CID 1245941) is methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate?
The InChIKey is ZFFZPPVVPIRPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c1-18-13(17)8-4-2-3-5-9(8)15-12(16)10-6-7-11(14)19-10/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate?
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate 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 2-[(5-chlorothiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 1245941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).