5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide

C13H13BrN2O3S2 — CID 79998270

IUPAC5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H13BrN2O3S2/c1-8-7-10(20-12(8)14)13(17)16-9-5-3-4-6-11(9)21(18,19)15-2/h3-7,15H,1-2H3,(H,16,17)
InChIKeyROOKLSMSLQUBBH-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.98
Rot. Bonds4

About 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 79998270) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
PubChem CID79998270
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC Name5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H13BrN2O3S2/c1-8-7-10(20-12(8)14)13(17)16-9-5-3-4-6-11(9)21(18,19)15-2/h3-7,15H,1-2H3,(H,16,17)
InChIKeyROOKLSMSLQUBBH-UHFFFAOYSA-N
XLogP2.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
5-bromo-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-4-methylthiophene-2-carboxamide
CID 79998067
5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 79999800
2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid
CID 79975729
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
5-bromo-N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylthiophene-2-carboxamide
CID 107800842
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-4-chlorobenzoic acid
CID 79981518

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide (CID 79998270) is 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide is CNS(=O)(=O)c1ccccc1NC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ROOKLSMSLQUBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c1-8-7-10(20-12(8)14)13(17)16-9-5-3-4-6-11(9)21(18,19)15-2/h3-7,15H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 79998270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).