1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide

C23H28N4O3S — CID 55806336

IUPAC1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3S/c1-2-3-17-31(29,30)26-15-13-18(14-16-26)22(28)25-23-24-20-11-7-8-12-21(20)27(23)19-9-5-4-6-10-19/h4-12,18H,2-3,13-17H2,1H3,(H,24,25,28)
InChIKeyBJISFKRPPYSAIH-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.81
Rot. Bonds7

About 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide

1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 55806336) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID55806336
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3S/c1-2-3-17-31(29,30)26-15-13-18(14-16-26)22(28)25-23-24-20-11-7-8-12-21(20)27(23)19-9-5-4-6-10-19/h4-12,18H,2-3,13-17H2,1H3,(H,24,25,28)
InChIKeyBJISFKRPPYSAIH-UHFFFAOYSA-N
XLogP3.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 55806336) is 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3n2-c2ccccc2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is BJISFKRPPYSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-2-3-17-31(29,30)26-15-13-18(14-16-26)22(28)25-23-24-20-11-7-8-12-21(20)27(23)19-9-5-4-6-10-19/h4-12,18H,2-3,13-17H2,1H3,(H,24,25,28).
What are the key properties of 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55806336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).