1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide

C24H38N4O4S — CID 55358524

IUPAC1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCC(C)(C)N3CCCCC3)CC2=O)cc1
InChIInChI=1S/C24H38N4O4S/c1-5-27(6-2)33(31,32)21-12-10-20(11-13-21)28-17-19(16-22(28)29)23(30)25-18-24(3,4)26-14-8-7-9-15-26/h10-13,19H,5-9,14-18H2,1-4H3,(H,25,30)
InChIKeyWKWZDKCGZCFRBW-UHFFFAOYSA-N
MW478.66 g/mol
LogP2.45
Rot. Bonds9

About 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide

1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55358524) has the molecular formula C24H38N4O4S and a molecular weight of 478.66 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55358524
Molecular FormulaC24H38N4O4S
Molecular Weight478.66 g/mol
Exact Mass478.26
IUPAC Name1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCC(C)(C)N3CCCCC3)CC2=O)cc1
InChIInChI=1S/C24H38N4O4S/c1-5-27(6-2)33(31,32)21-12-10-20(11-13-21)28-17-19(16-22(28)29)23(30)25-18-24(3,4)26-14-8-7-9-15-26/h10-13,19H,5-9,14-18H2,1-4H3,(H,25,30)
InChIKeyWKWZDKCGZCFRBW-UHFFFAOYSA-N
XLogP2.45
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55647597
1-(2-ethylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55335688
(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507
1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55818832
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55638396

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 55358524) is 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCC(C)(C)N3CCCCC3)CC2=O)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WKWZDKCGZCFRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4S/c1-5-27(6-2)33(31,32)21-12-10-20(11-13-21)28-17-19(16-22(28)29)23(30)25-18-24(3,4)26-14-8-7-9-15-26/h10-13,19H,5-9,14-18H2,1-4H3,(H,25,30).
What are the key properties of 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 478.66 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55358524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).