2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C12H13N5O5S — CID 57413827

IUPAC2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H13N5O5S/c13-23(21,22)10-3-1-9(2-4-10)7-15-11(18)8-16-6-5-14-12(16)17(19)20/h1-6H,7-8H2,(H,15,18)(H2,13,21,22)
InChIKeyLUVYZCJSINUZFF-UHFFFAOYSA-N
MW339.33 g/mol
LogP-0.24
Rot. Bonds6

About 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 57413827) has the molecular formula C12H13N5O5S and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID57413827
Molecular FormulaC12H13N5O5S
Molecular Weight339.33 g/mol
Exact Mass339.06
IUPAC Name2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H13N5O5S/c13-23(21,22)10-3-1-9(2-4-10)7-15-11(18)8-16-6-5-14-12(16)17(19)20/h1-6H,7-8H2,(H,15,18)(H2,13,21,22)
InChIKeyLUVYZCJSINUZFF-UHFFFAOYSA-N
XLogP-0.24
TPSA150.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benznidazole
CID 31593
N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6493524
US8980932, 6b (DH309)
CID 57404539
US8980932, 4a (DH296)
CID 57413825
US8980932, 4d (DH302)
CID 57413826
US8980932, 4c (DH305)
CID 57413828
N-[3-(1H-imidazol-1-yl)propyl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 6463123
N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 6620305
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 9550134
N-benzyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 704513
2-(2-methyl-5-nitroimidazol-1-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 56670196
4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 4226557

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 57413827) is 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is LUVYZCJSINUZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O5S/c13-23(21,22)10-3-1-9(2-4-10)7-15-11(18)8-16-6-5-14-12(16)17(19)20/h1-6H,7-8H2,(H,15,18)(H2,13,21,22).
What are the key properties of 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 339.33 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroimidazol-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 57413827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).