1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide

C16H20N4O3S — CID 5308672

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H20N4O3S/c1-12-5-2-3-7-14(12)19-16(21)13-6-4-8-20(10-13)24(22,23)15-9-17-11-18-15/h2-3,5,7,9,11,13H,4,6,8,10H2,1H3,(H,17,18)(H,19,21)
InChIKeyBLPCKAYMFVJCLE-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.76
Rot. Bonds4

About 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide (PubChem CID 5308672) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
PubChem CID5308672
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H20N4O3S/c1-12-5-2-3-7-14(12)19-16(21)13-6-4-8-20(10-13)24(22,23)15-9-17-11-18-15/h2-3,5,7,9,11,13H,4,6,8,10H2,1H3,(H,17,18)(H,19,21)
InChIKeyBLPCKAYMFVJCLE-UHFFFAOYSA-N
XLogP1.76
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-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

1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
(3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302253
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302252
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 20862166
(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5307287
(3S)-N-(2-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073508
(3S)-N-(2-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1456951
(3S)-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 129369823
N-(2-methylphenyl)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 20879653
1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20856408
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide (CID 5308672) is 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide is Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is BLPCKAYMFVJCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-12-5-2-3-7-14(12)19-16(21)13-6-4-8-20(10-13)24(22,23)15-9-17-11-18-15/h2-3,5,7,9,11,13H,4,6,8,10H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).