1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide

C25H28N2O4S — CID 654430

IUPAC1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C25H28N2O4S/c28-25(22-14-17-27(18-15-22)32(29,30)24-11-5-2-6-12-24)26(20-23-10-7-19-31-23)16-13-21-8-3-1-4-9-21/h1-12,19,22H,13-18,20H2
InChIKeyRGPUOGZOSNVBFI-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.95
Rot. Bonds8

About 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 654430) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID654430
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C25H28N2O4S/c28-25(22-14-17-27(18-15-22)32(29,30)24-11-5-2-6-12-24)26(20-23-10-7-19-31-23)16-13-21-8-3-1-4-9-21/h1-12,19,22H,13-18,20H2
InChIKeyRGPUOGZOSNVBFI-UHFFFAOYSA-N
XLogP3.95
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 654430) is 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(CCc1ccccc1)Cc1ccco1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is RGPUOGZOSNVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c28-25(22-14-17-27(18-15-22)32(29,30)24-11-5-2-6-12-24)26(20-23-10-7-19-31-23)16-13-21-8-3-1-4-9-21/h1-12,19,22H,13-18,20H2.
What are the key properties of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 654430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).