1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide

C24H31N3O3S — CID 45488219

IUPAC1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H31N3O3S/c28-24(25-22(19-26-16-9-10-17-26)20-11-3-1-4-12-20)23-15-7-8-18-27(23)31(29,30)21-13-5-2-6-14-21/h1-6,11-14,22-23H,7-10,15-19H2,(H,25,28)
InChIKeyWBUJFQWKXTXSSU-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.18
Rot. Bonds7

About 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide (PubChem CID 45488219) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
PubChem CID45488219
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H31N3O3S/c28-24(25-22(19-26-16-9-10-17-26)20-11-3-1-4-12-20)23-15-7-8-18-27(23)31(29,30)21-13-5-2-6-14-21/h1-6,11-14,22-23H,7-10,15-19H2,(H,25,28)
InChIKeyWBUJFQWKXTXSSU-UHFFFAOYSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide (CID 45488219) is 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide is O=C(NC(CN1CCCC1)c1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The InChIKey is WBUJFQWKXTXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c28-24(25-22(19-26-16-9-10-17-26)20-11-3-1-4-12-20)23-15-7-8-18-27(23)31(29,30)21-13-5-2-6-14-21/h1-6,11-14,22-23H,7-10,15-19H2,(H,25,28).
What are the key properties of 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 45488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).