1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide

C21H33N3O4S — CID 46515706

IUPAC1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C21H33N3O4S/c1-4-7-8-9-14-22-21(26)17-15-20(25)24(16-17)18-10-12-19(13-11-18)29(27,28)23(5-2)6-3/h10-13,17H,4-9,14-16H2,1-3H3,(H,22,26)
InChIKeyMGOYTXRLEOMGJU-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.77
Rot. Bonds11

About 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide

1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 46515706) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID46515706
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C21H33N3O4S/c1-4-7-8-9-14-22-21(26)17-15-20(25)24(16-17)18-10-12-19(13-11-18)29(27,28)23(5-2)6-3/h10-13,17H,4-9,14-16H2,1-3H3,(H,22,26)
InChIKeyMGOYTXRLEOMGJU-UHFFFAOYSA-N
XLogP2.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55818832
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
(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-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(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
N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 55359689
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55358524

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide (CID 46515706) is 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide is CCCCCCNC(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MGOYTXRLEOMGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-4-7-8-9-14-22-21(26)17-15-20(25)24(16-17)18-10-12-19(13-11-18)29(27,28)23(5-2)6-3/h10-13,17H,4-9,14-16H2,1-3H3,(H,22,26).
What are the key properties of 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide?
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46515706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).