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

C13H15N5O5S — CID 57413828

IUPAC2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2ccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H15N5O5S/c14-24(22,23)11-3-1-10(2-4-11)5-6-15-12(19)9-17-8-7-16-13(17)18(20)21/h1-4,7-8H,5-6,9H2,(H,15,19)(H2,14,22,23)
InChIKeyZYVDSGFVZXBKLJ-UHFFFAOYSA-N
MW353.36 g/mol
LogP-0.20
Rot. Bonds7

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

2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 57413828) has the molecular formula C13H15N5O5S and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID57413828
Molecular FormulaC13H15N5O5S
Molecular Weight353.36 g/mol
Exact Mass353.08
IUPAC Name2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2ccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H15N5O5S/c14-24(22,23)11-3-1-10(2-4-11)5-6-15-12(19)9-17-8-7-16-13(17)18(20)21/h1-4,7-8H,5-6,9H2,(H,15,19)(H2,14,22,23)
InChIKeyZYVDSGFVZXBKLJ-UHFFFAOYSA-N
XLogP-0.20
TPSA150.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 5-0.20
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
2-(4-Nitro-imidazol-1-yl)-N-phenethyl-acetamide
CID 1099826
N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6493524
US8980932, 4b (DH304)
CID 57413827
US8980932, 6c (DH310)
CID 72713107
N-[3-(1H-imidazol-1-yl)propyl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 6463123
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(2-phenylethyl)glycinamide
CID 12005333
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 568837
2-(2-methyl-5-nitroimidazol-1-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 56670196
N-[3-(2-nitroimidazol-1-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 60155648
PK 110
CID 132292
N-(3-Imidazol-1-yl-propyl)-2-[methyl-(2,4,6-trimethyl-benzenesulfonyl)-amino]-acetamide
CID 6493528

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 57413828) is 2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccnc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is ZYVDSGFVZXBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O5S/c14-24(22,23)11-3-1-10(2-4-11)5-6-15-12(19)9-17-8-7-16-13(17)18(20)21/h1-4,7-8H,5-6,9H2,(H,15,19)(H2,14,22,23).
What are the key properties of 2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2-nitroimidazol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 353.36 g/mol, XLogP of -0.20, 7 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-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 57413828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).