2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide

C13H12BrNO4S2 — CID 155949428

IUPAC2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide
SMILESCOc1ccsc1S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO4S2/c1-19-11-6-7-20-13(11)21(17,18)15-12(16)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16)
InChIKeySDKSMRPDHLYRNQ-UHFFFAOYSA-N
MW390.28 g/mol
LogP2.57
Rot. Bonds5

About 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide

2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide (PubChem CID 155949428) has the molecular formula C13H12BrNO4S2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide
PubChem CID155949428
Molecular FormulaC13H12BrNO4S2
Molecular Weight390.28 g/mol
Exact Mass388.94
IUPAC Name2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide
SMILESCOc1ccsc1S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO4S2/c1-19-11-6-7-20-13(11)21(17,18)15-12(16)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16)
InChIKeySDKSMRPDHLYRNQ-UHFFFAOYSA-N
XLogP2.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide
CID 126830217
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
CID 166182044
N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166199698
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 47108955
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
N-(5-bromo-3-pyridinyl)-3-methoxythiophene-2-sulfonamide
CID 166185385
2-[[(3-methoxythiophen-2-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660505
N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide
CID 155946992
3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 119964955

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide (CID 155949428) is 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide is COc1ccsc1S(=O)(=O)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide?
The InChIKey is SDKSMRPDHLYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO4S2/c1-19-11-6-7-20-13(11)21(17,18)15-12(16)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide?
2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide has a molecular weight of 390.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide is sourced from PubChem (CID 155949428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).