3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide

C12H14N4O3S — CID 60647736

IUPAC3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCn2ccnc2)cc1
InChIInChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-10(2-4-11)15-12(17)5-7-16-8-6-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17)(H2,13,18,19)
InChIKeyQVXQWZRYMOFYPJ-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.56
Rot. Bonds5

About 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide

3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 60647736) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
PubChem CID60647736
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCn2ccnc2)cc1
InChIInChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-10(2-4-11)15-12(17)5-7-16-8-6-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17)(H2,13,18,19)
InChIKeyQVXQWZRYMOFYPJ-UHFFFAOYSA-N
XLogP0.56
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide
CID 61130314
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide
CID 71810800
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-imidazol-1-ylpropanamide
CID 60804470
2-(3-imidazol-1-ylpropylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17066686
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide (CID 60647736) is 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCn2ccnc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is QVXQWZRYMOFYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-10(2-4-11)15-12(17)5-7-16-8-6-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17)(H2,13,18,19).
What are the key properties of 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide?
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 294.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 60647736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).