ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate

C14H11Br2NO3S — CID 19205138

IUPACethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H11Br2NO3S/c1-2-20-14(19)8-5-3-4-6-10(8)17-13(18)11-7-9(15)12(16)21-11/h3-7H,2H2,1H3,(H,17,18)
InChIKeyJRKLYEWLTBFPAZ-UHFFFAOYSA-N
MW433.12 g/mol
LogP4.70
Rot. Bonds4

About ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate

ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate (PubChem CID 19205138) has the molecular formula C14H11Br2NO3S and a molecular weight of 433.12 g/mol. Its IUPAC name is ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
PubChem CID19205138
Molecular FormulaC14H11Br2NO3S
Molecular Weight433.12 g/mol
Exact Mass430.88
IUPAC Nameethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H11Br2NO3S/c1-2-20-14(19)8-5-3-4-6-10(8)17-13(18)11-7-9(15)12(16)21-11/h3-7H,2H2,1H3,(H,17,18)
InChIKeyJRKLYEWLTBFPAZ-UHFFFAOYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.12
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate 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

ethyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate
CID 20896755
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
CID 110692261
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
[2-(2-acetylanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35966583
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
CID 43403969
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]benzoate
CID 110600656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate (CID 19205138) is ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate?
The InChIKey is JRKLYEWLTBFPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO3S/c1-2-20-14(19)8-5-3-4-6-10(8)17-13(18)11-7-9(15)12(16)21-11/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate?
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate has a molecular weight of 433.12 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 19205138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).