1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

C20H33N3O3S — CID 3238320

IUPAC1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)NC(C)CCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-4-22(5-2)27(25,26)23-15-13-19(14-16-23)20(24)21-17(3)11-12-18-9-7-6-8-10-18/h6-10,17,19H,4-5,11-16H2,1-3H3,(H,21,24)
InChIKeyVSWLWMVDNYHLAG-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.42
Rot. Bonds9

About 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 3238320) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
PubChem CID3238320
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)NC(C)CCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-4-22(5-2)27(25,26)23-15-13-19(14-16-23)20(24)21-17(3)11-12-18-9-7-6-8-10-18/h6-10,17,19H,4-5,11-16H2,1-3H3,(H,21,24)
InChIKeyVSWLWMVDNYHLAG-UHFFFAOYSA-N
XLogP2.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (CID 3238320) is 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is CCN(CC)S(=O)(=O)N1CCC(C(=O)NC(C)CCc2ccccc2)CC1.
What is the InChIKey of 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is VSWLWMVDNYHLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-4-22(5-2)27(25,26)23-15-13-19(14-16-23)20(24)21-17(3)11-12-18-9-7-6-8-10-18/h6-10,17,19H,4-5,11-16H2,1-3H3,(H,21,24).
What are the key properties of 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3238320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).