5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide

C10H14BrNO3S2 — CID 79987385

IUPAC5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(=O)C(C)C)sc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-6(2)8(13)5-12-17(14,15)9-4-7(3)10(11)16-9/h4,6,12H,5H2,1-3H3
InChIKeyQLOJKJUHEDBAGW-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.32
Rot. Bonds5

About 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide (PubChem CID 79987385) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
PubChem CID79987385
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(=O)C(C)C)sc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-6(2)8(13)5-12-17(14,15)9-4-7(3)10(11)16-9/h4,6,12H,5H2,1-3H3
InChIKeyQLOJKJUHEDBAGW-UHFFFAOYSA-N
XLogP2.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide 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

3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
4-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104936210
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methoxypropanoic acid
CID 104936772
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 107232063
N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide
CID 79994957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide (CID 79987385) is 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC(=O)C(C)C)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide?
The InChIKey is QLOJKJUHEDBAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-6(2)8(13)5-12-17(14,15)9-4-7(3)10(11)16-9/h4,6,12H,5H2,1-3H3.
What are the key properties of 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide has a molecular weight of 340.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79987385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).