3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide

C13H16N4O3S — CID 103511158

IUPAC3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O3S/c1-17-9-15-8-12(17)13(18)16-7-6-10-2-4-11(5-3-10)21(14,19)20/h2-5,8-9H,6-7H2,1H3,(H,16,18)(H2,14,19,20)
InChIKeyURRBPLSZOGLESM-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.04
Rot. Bonds5

About 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide

3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide (PubChem CID 103511158) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
PubChem CID103511158
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O3S/c1-17-9-15-8-12(17)13(18)16-7-6-10-2-4-11(5-3-10)21(14,19)20/h2-5,8-9H,6-7H2,1H3,(H,16,18)(H2,14,19,20)
InChIKeyURRBPLSZOGLESM-UHFFFAOYSA-N
XLogP0.04
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52998688
2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575518
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 9378546
N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511171
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109247115
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384826
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146043406
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide (CID 103511158) is 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide is Cn1cncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide?
The InChIKey is URRBPLSZOGLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17-9-15-8-12(17)13(18)16-7-6-10-2-4-11(5-3-10)21(14,19)20/h2-5,8-9H,6-7H2,1H3,(H,16,18)(H2,14,19,20).
What are the key properties of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide?
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 103511158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).