methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate

C13H9BrClNO3S — CID 47249749

IUPACmethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H9BrClNO3S/c1-19-13(18)9-5-8(15)2-3-10(9)16-12(17)7-4-11(14)20-6-7/h2-6H,1H3,(H,16,17)
InChIKeyWTWGGTPIRPFITK-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.20
Rot. Bonds3

About methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate

methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate (PubChem CID 47249749) has the molecular formula C13H9BrClNO3S and a molecular weight of 374.64 g/mol. Its IUPAC name is methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate
PubChem CID47249749
Molecular FormulaC13H9BrClNO3S
Molecular Weight374.64 g/mol
Exact Mass372.92
IUPAC Namemethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H9BrClNO3S/c1-19-13(18)9-5-8(15)2-3-10(9)16-12(17)7-4-11(14)20-6-7/h2-6H,1H3,(H,16,17)
InChIKeyWTWGGTPIRPFITK-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylbenzoate
CID 43623715
2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
CID 43354294
methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
CID 66462125
N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
CID 107959269
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
methyl 5-fluoro-2-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78948985
5-bromo-N-(2-bromo-5-methoxyphenyl)thiophene-3-carboxamide
CID 62415455
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-chlorobenzoate
CID 79809249
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate?
The IUPAC name of methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate (CID 47249749) is methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate.
What is the SMILES notation for methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate?
The canonical SMILES for methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1NC(=O)c1csc(Br)c1.
What is the InChIKey of methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate?
The InChIKey is WTWGGTPIRPFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3S/c1-19-13(18)9-5-8(15)2-3-10(9)16-12(17)7-4-11(14)20-6-7/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate?
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate has a molecular weight of 374.64 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate is sourced from PubChem (CID 47249749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).