1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

C24H36N4O3S — CID 20888002

IUPAC1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCCC(C)C)CC3)ccc2n1C1CCCC1
InChIInChI=1S/C24H36N4O3S/c1-17(2)10-13-25-24(29)19-11-14-27(15-12-19)32(30,31)21-8-9-23-22(16-21)26-18(3)28(23)20-6-4-5-7-20/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3,(H,25,29)
InChIKeyDRLNMIDOYGGWIK-UHFFFAOYSA-N
MW460.64 g/mol
LogP4.02
Rot. Bonds7

About 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 20888002) has the molecular formula C24H36N4O3S and a molecular weight of 460.64 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID20888002
Molecular FormulaC24H36N4O3S
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC Name1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCCC(C)C)CC3)ccc2n1C1CCCC1
InChIInChI=1S/C24H36N4O3S/c1-17(2)10-13-25-24(29)19-11-14-27(15-12-19)32(30,31)21-8-9-23-22(16-21)26-18(3)28(23)20-6-4-5-7-20/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3,(H,25,29)
InChIKeyDRLNMIDOYGGWIK-UHFFFAOYSA-N
XLogP4.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712242
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
N-[(2R)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 92506922
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(7-methyloctyl)piperidine-4-carboxamide
CID 36618614
1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 92871168

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (CID 20888002) is 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)NCCC(C)C)CC3)ccc2n1C1CCCC1.
What is the InChIKey of 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is DRLNMIDOYGGWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S/c1-17(2)10-13-25-24(29)19-11-14-27(15-12-19)32(30,31)21-8-9-23-22(16-21)26-18(3)28(23)20-6-4-5-7-20/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3,(H,25,29).
What are the key properties of 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 460.64 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 20888002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).