2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide

C9H13BrN2O3S2 — CID 103103884

IUPAC2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C9H13BrN2O3S2/c1-3-12(5-9(11)13)17(14,15)7-4-8(10)16-6(7)2/h4H,3,5H2,1-2H3,(H2,11,13)
InChIKeyFTQOHTVZPDEMES-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.31
Rot. Bonds5

About 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide

2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide (PubChem CID 103103884) has the molecular formula C9H13BrN2O3S2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide
PubChem CID103103884
Molecular FormulaC9H13BrN2O3S2
Molecular Weight341.25 g/mol
Exact Mass339.96
IUPAC Name2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C9H13BrN2O3S2/c1-3-12(5-9(11)13)17(14,15)7-4-8(10)16-6(7)2/h4H,3,5H2,1-2H3,(H2,11,13)
InChIKeyFTQOHTVZPDEMES-UHFFFAOYSA-N
XLogP1.31
TPSA80.47 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide
CID 80673410
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide (CID 103103884) is 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1cc(Br)sc1C.
What is the InChIKey of 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide?
The InChIKey is FTQOHTVZPDEMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S2/c1-3-12(5-9(11)13)17(14,15)7-4-8(10)16-6(7)2/h4H,3,5H2,1-2H3,(H2,11,13).
What are the key properties of 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide?
2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide has a molecular weight of 341.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 103103884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).