1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

C24H40N4O4S — CID 55987670

IUPAC1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1
InChIInChI=1S/C24H40N4O4S/c1-7-28(8-2)33(31,32)21-11-9-20(10-12-21)23(30)27-15-13-19(14-16-27)22(29)25-17-24(3,4)18-26(5)6/h9-12,19H,7-8,13-18H2,1-6H3,(H,25,29)
InChIKeyHBCKWCOVNCWRGH-UHFFFAOYSA-N
MW480.68 g/mol
LogP2.27
Rot. Bonds10

About 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (PubChem CID 55987670) has the molecular formula C24H40N4O4S and a molecular weight of 480.68 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
PubChem CID55987670
Molecular FormulaC24H40N4O4S
Molecular Weight480.68 g/mol
Exact Mass480.28
IUPAC Name1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1
InChIInChI=1S/C24H40N4O4S/c1-7-28(8-2)33(31,32)21-11-9-20(10-12-21)23(30)27-15-13-19(14-16-27)22(29)25-17-24(3,4)18-26(5)6/h9-12,19H,7-8,13-18H2,1-6H3,(H,25,29)
InChIKeyHBCKWCOVNCWRGH-UHFFFAOYSA-N
XLogP2.27
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.68
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364113
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55987288
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55986906
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55986516
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 49064767
1-(4-cyclohexylphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987264
1-(3,4-diethoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987390
1-(2H-chromene-3-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 86849263
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (CID 55987670) is 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The InChIKey is HBCKWCOVNCWRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O4S/c1-7-28(8-2)33(31,32)21-11-9-20(10-12-21)23(30)27-15-13-19(14-16-27)22(29)25-17-24(3,4)18-26(5)6/h9-12,19H,7-8,13-18H2,1-6H3,(H,25,29).
What are the key properties of 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide has a molecular weight of 480.68 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 55987670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).