2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide

C8H11BrN2O3S2 — CID 61392292

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Br)s1)C(N)=O
InChIInChI=1S/C8H11BrN2O3S2/c1-8(2,7(10)12)11-16(13,14)6-4-3-5(9)15-6/h3-4,11H,1-2H3,(H2,10,12)
InChIKeyATGPTKUXINSVJD-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.05
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide (PubChem CID 61392292) has the molecular formula C8H11BrN2O3S2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
PubChem CID61392292
Molecular FormulaC8H11BrN2O3S2
Molecular Weight327.23 g/mol
Exact Mass325.94
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Br)s1)C(N)=O
InChIInChI=1S/C8H11BrN2O3S2/c1-8(2,7(10)12)11-16(13,14)6-4-3-5(9)15-6/h3-4,11H,1-2H3,(H2,10,12)
InChIKeyATGPTKUXINSVJD-UHFFFAOYSA-N
XLogP1.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothiophen-2-yl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266493
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 79930822
5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 19682083
5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide
CID 61126498
5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide
CID 22500765
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114293803
5-bromothiophene-2-sulfonohydrazide
CID 23464136
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 113353088
5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide
CID 115754090
[(5-bromothiophen-2-yl)sulfonylamino]thiourea
CID 65214417
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-2-methylpropanoate
CID 51131047
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide (CID 61392292) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide is CC(C)(NS(=O)(=O)c1ccc(Br)s1)C(N)=O.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide?
The InChIKey is ATGPTKUXINSVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S2/c1-8(2,7(10)12)11-16(13,14)6-4-3-5(9)15-6/h3-4,11H,1-2H3,(H2,10,12).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide has a molecular weight of 327.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 61392292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).