N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide

C26H32N4O4S — CID 90217546

IUPACN-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCOC1CCN(C(=O)C2CCC(NS(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)CC1
InChIInChI=1S/C26H32N4O4S/c1-34-21-13-15-30(16-14-21)26(31)19-7-9-20(10-8-19)29-35(32,33)22-11-12-23-24(17-22)28-25(27-23)18-5-3-2-4-6-18/h2-6,11-12,17,19-21,29H,7-10,13-16H2,1H3,(H,27,28)
InChIKeySKGFRZZTFBVLRR-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.70
Rot. Bonds6

About N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide

N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 90217546) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID90217546
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCOC1CCN(C(=O)C2CCC(NS(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)CC1
InChIInChI=1S/C26H32N4O4S/c1-34-21-13-15-30(16-14-21)26(31)19-7-9-20(10-8-19)29-35(32,33)22-11-12-23-24(17-22)28-25(27-23)18-5-3-2-4-6-18/h2-6,11-12,17,19-21,29H,7-10,13-16H2,1H3,(H,27,28)
InChIKeySKGFRZZTFBVLRR-UHFFFAOYSA-N
XLogP3.70
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(isoindole-2-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 90096563
4-[[4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclohexanecarbonyl]oxymethyl]benzoic acid
CID 90216818
N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 90216650
4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide
CID 90216808
4-[[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]sulfonylamino]-N-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 56639935
N-methyl-4-[[2-[4-(4-methylpiperazin-1-yl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 90216896
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(3S)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidin-3-yl]methanone
CID 124769804
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
N-(4-methylphenyl)-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-3-carboxamide
CID 6624076
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
4-[(2-anilino-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 90216894

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 90217546) is N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide is COC1CCN(C(=O)C2CCC(NS(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is SKGFRZZTFBVLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-34-21-13-15-30(16-14-21)26(31)19-7-9-20(10-8-19)29-35(32,33)22-11-12-23-24(17-22)28-25(27-23)18-5-3-2-4-6-18/h2-6,11-12,17,19-21,29H,7-10,13-16H2,1H3,(H,27,28).
What are the key properties of N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 496.63 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 90217546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).