2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide

C9H13BrN2O3S2 — CID 9189604

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2O3S2/c1-6(2)12-8(13)5-11-17(14,15)9-4-3-7(10)16-9/h3-4,6,11H,5H2,1-2H3,(H,12,13)
InChIKeyABRLTZPHTBUAIX-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.31
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 9189604) has the molecular formula C9H13BrN2O3S2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID9189604
Molecular FormulaC9H13BrN2O3S2
Molecular Weight341.25 g/mol
Exact Mass339.96
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2O3S2/c1-6(2)12-8(13)5-11-17(14,15)9-4-3-7(10)16-9/h3-4,6,11H,5H2,1-2H3,(H,12,13)
InChIKeyABRLTZPHTBUAIX-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3298389
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991518
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119668744
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-2-methylpropanoate
CID 51131047
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 110407051
N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride
CID 119585221
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide (CID 9189604) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is ABRLTZPHTBUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S2/c1-6(2)12-8(13)5-11-17(14,15)9-4-3-7(10)16-9/h3-4,6,11H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 341.25 g/mol, XLogP of 1.31, 5 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 9189604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).