4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid

C15H14BrNO3S — CID 107812502

IUPAC4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCCc1cc(C(=O)Nc2cc(C(=O)O)ccc2Br)sc1C
InChIInChI=1S/C15H14BrNO3S/c1-3-9-7-13(21-8(9)2)14(18)17-12-6-10(15(19)20)4-5-11(12)16/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUFFFMGWHEJKWSQ-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.33
Rot. Bonds4

About 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid

4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 107812502) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID107812502
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCCc1cc(C(=O)Nc2cc(C(=O)O)ccc2Br)sc1C
InChIInChI=1S/C15H14BrNO3S/c1-3-9-7-13(21-8(9)2)14(18)17-12-6-10(15(19)20)4-5-11(12)16/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUFFFMGWHEJKWSQ-UHFFFAOYSA-N
XLogP4.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60827236
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
3-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylbenzoic acid
CID 43239573
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880510
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264822
4-bromo-3-(butanoylamino)benzoic acid
CID 91688246
4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid
CID 107812622
4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 107812589
4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide
CID 54955521
5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356570
4-bromo-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 107812493

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid (CID 107812502) is 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid is CCc1cc(C(=O)Nc2cc(C(=O)O)ccc2Br)sc1C.
What is the InChIKey of 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is UFFFMGWHEJKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-3-9-7-13(21-8(9)2)14(18)17-12-6-10(15(19)20)4-5-11(12)16/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid?
4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 368.25 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107812502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).