N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide

C23H26N4O3S — CID 53136011

IUPACN-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)cc1C
InChIInChI=1S/C23H26N4O3S/c1-17-6-7-19(14-18(17)2)25-23(28)22-15-26(16-24-22)20-8-10-21(11-9-20)31(29,30)27-12-4-3-5-13-27/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,25,28)
InChIKeyKWEUMIKCHTWDHW-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.92
Rot. Bonds5

About N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide

N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide (PubChem CID 53136011) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
PubChem CID53136011
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)cc1C
InChIInChI=1S/C23H26N4O3S/c1-17-6-7-19(14-18(17)2)25-23(28)22-15-26(16-24-22)20-8-10-21(11-9-20)31(29,30)27-12-4-3-5-13-27/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,25,28)
InChIKeyKWEUMIKCHTWDHW-UHFFFAOYSA-N
XLogP3.92
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-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

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136016
1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 53136007
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide
CID 53136053
1-(3,4-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 19680462
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882630
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136025
N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136046
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 58326585
N-(3-amino-4-methylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867146

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide (CID 53136011) is N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide?
The InChIKey is KWEUMIKCHTWDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-17-6-7-19(14-18(17)2)25-23(28)22-15-26(16-24-22)20-8-10-21(11-9-20)31(29,30)27-12-4-3-5-13-27/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide?
N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 53136011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).