N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C27H28N4O3S — CID 1455598

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)CC2)cc1
InChIInChI=1S/C27H28N4O3S/c1-18-3-10-23(11-4-18)35(33,34)31-15-13-21(14-16-31)27(32)28-22-8-6-20(7-9-22)26-29-24-12-5-19(2)17-25(24)30-26/h3-12,17,21H,13-16H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyGOBLYNJXKGSWNK-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.89
Rot. Bonds5

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1455598) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1455598
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)CC2)cc1
InChIInChI=1S/C27H28N4O3S/c1-18-3-10-23(11-4-18)35(33,34)31-15-13-21(14-16-31)27(32)28-22-8-6-20(7-9-22)26-29-24-12-5-19(2)17-25(24)30-26/h3-12,17,21H,13-16H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyGOBLYNJXKGSWNK-UHFFFAOYSA-N
XLogP4.89
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide
CID 6624076
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
methyl 2-chloro-5-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 38238190
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 1327310

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 1455598) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)CC2)cc1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GOBLYNJXKGSWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-18-3-10-23(11-4-18)35(33,34)31-15-13-21(14-16-31)27(32)28-22-8-6-20(7-9-22)26-29-24-12-5-19(2)17-25(24)30-26/h3-12,17,21H,13-16H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1455598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).