N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide

C15H15BrN2O2S — CID 79916167

IUPACN-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C15H15BrN2O2S/c1-8-4-5-11(17-10(3)19)7-12(8)18-15(20)13-6-9(2)14(16)21-13/h4-7H,1-3H3,(H,17,19)(H,18,20)
InChIKeyRLSFTMFXCPBWFQ-UHFFFAOYSA-N
MW367.27 g/mol
LogP4.34
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide

N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 79916167) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID79916167
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C15H15BrN2O2S/c1-8-4-5-11(17-10(3)19)7-12(8)18-15(20)13-6-9(2)14(16)21-13/h4-7H,1-3H3,(H,17,19)(H,18,20)
InChIKeyRLSFTMFXCPBWFQ-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 79999800
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 79964276
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide (CID 79916167) is N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is RLSFTMFXCPBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-8-4-5-11(17-10(3)19)7-12(8)18-15(20)13-6-9(2)14(16)21-13/h4-7H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide?
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79916167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).