2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide

C9H13BrN2O3S2 — CID 79930822

IUPAC2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C(N)=O)sc1Br
InChIInChI=1S/C9H13BrN2O3S2/c1-5-4-6(16-7(5)10)17(14,15)12-9(2,3)8(11)13/h4,12H,1-3H3,(H2,11,13)
InChIKeyBJJFGGLBARIUDD-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.36
Rot. Bonds4

About 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide

2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide (PubChem CID 79930822) has the molecular formula C9H13BrN2O3S2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide
PubChem CID79930822
Molecular FormulaC9H13BrN2O3S2
Molecular Weight341.25 g/mol
Exact Mass339.96
IUPAC Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C(N)=O)sc1Br
InChIInChI=1S/C9H13BrN2O3S2/c1-5-4-6(16-7(5)10)17(14,15)12-9(2,3)8(11)13/h4,12H,1-3H3,(H2,11,13)
InChIKeyBJJFGGLBARIUDD-UHFFFAOYSA-N
XLogP1.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79989371
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide
CID 79989092
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79988823
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 61392292
N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide
CID 79994957
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
CID 79987550
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 114208119
5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
CID 107158081
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
CID 79987384
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 79988235
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915305

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide?
The IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide (CID 79930822) is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide is Cc1cc(S(=O)(=O)NC(C)(C)C(N)=O)sc1Br.
What is the InChIKey of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide?
The InChIKey is BJJFGGLBARIUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S2/c1-5-4-6(16-7(5)10)17(14,15)12-9(2,3)8(11)13/h4,12H,1-3H3,(H2,11,13).
What are the key properties of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide?
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide has a molecular weight of 341.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 79930822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).