N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C12H14N4O4S — CID 60668178

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2c[nH]c(=O)[nH]2)c1C
InChIInChI=1S/C12H14N4O4S/c1-6-3-8(21(13,19)20)4-9(7(6)2)15-11(17)10-5-14-12(18)16-10/h3-5H,1-2H3,(H,15,17)(H2,13,19,20)(H2,14,16,18)
InChIKeyQVDQDWKVTHIEBH-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.22
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 60668178) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID60668178
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2c[nH]c(=O)[nH]2)c1C
InChIInChI=1S/C12H14N4O4S/c1-6-3-8(21(13,19)20)4-9(7(6)2)15-11(17)10-5-14-12(18)16-10/h3-5H,1-2H3,(H,15,17)(H2,13,19,20)(H2,14,16,18)
InChIKeyQVDQDWKVTHIEBH-UHFFFAOYSA-N
XLogP0.22
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 60668178) is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)c2c[nH]c(=O)[nH]2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is QVDQDWKVTHIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-6-3-8(21(13,19)20)4-9(7(6)2)15-11(17)10-5-14-12(18)16-10/h3-5H,1-2H3,(H,15,17)(H2,13,19,20)(H2,14,16,18).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 60668178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).