1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide

C21H26N2O3S — CID 26415263

IUPAC1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-2-22(17-18-9-5-3-6-10-18)21(24)19-13-15-23(16-14-19)27(25,26)20-11-7-4-8-12-20/h3-12,19H,2,13-17H2,1H3
InChIKeyWXOLYDSJRBVRNM-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.14
Rot. Bonds6

About 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide (PubChem CID 26415263) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
PubChem CID26415263
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-2-22(17-18-9-5-3-6-10-18)21(24)19-13-15-23(16-14-19)27(25,26)20-11-7-4-8-12-20/h3-12,19H,2,13-17H2,1H3
InChIKeyWXOLYDSJRBVRNM-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
N-benzyl-N-ethyl-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53006309
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide
CID 71737584
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide (CID 26415263) is 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide?
The InChIKey is WXOLYDSJRBVRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-22(17-18-9-5-3-6-10-18)21(24)19-13-15-23(16-14-19)27(25,26)20-11-7-4-8-12-20/h3-12,19H,2,13-17H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 26415263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).