N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide

C26H26N4O3S — CID 6624076

IUPACN-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)C2)cc1
InChIInChI=1S/C26H26N4O3S/c1-18-9-11-21(12-10-18)27-26(31)20-8-5-15-30(17-20)34(32,33)22-13-14-23-24(16-22)29-25(28-23)19-6-3-2-4-7-19/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3,(H,27,31)(H,28,29)
InChIKeyVYOGDFHJXPVFLY-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.58
Rot. Bonds5

About N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide

N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 6624076) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID6624076
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)C2)cc1
InChIInChI=1S/C26H26N4O3S/c1-18-9-11-21(12-10-18)27-26(31)20-8-5-15-30(17-20)34(32,33)22-13-14-23-24(16-22)29-25(28-23)19-6-3-2-4-7-19/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3,(H,27,31)(H,28,29)
InChIKeyVYOGDFHJXPVFLY-UHFFFAOYSA-N
XLogP4.58
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1455598
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(3S)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidin-3-yl]methanone
CID 124769804
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 16828872
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 16861454
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43889711
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide (CID 6624076) is N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is VYOGDFHJXPVFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-18-9-11-21(12-10-18)27-26(31)20-8-5-15-30(17-20)34(32,33)22-13-14-23-24(16-22)29-25(28-23)19-6-3-2-4-7-19/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide?
N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 6624076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).