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

C23H31N3O4S2 — CID 55397711

IUPAC1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NC(c3cccs3)C(C)C)CC2=O)cc1
InChIInChI=1S/C23H31N3O4S2/c1-5-25(6-2)32(29,30)19-11-9-18(10-12-19)26-15-17(14-21(26)27)23(28)24-22(16(3)4)20-8-7-13-31-20/h7-13,16-17,22H,5-6,14-15H2,1-4H3,(H,24,28)
InChIKeyYCUKNVHFGGMORZ-UHFFFAOYSA-N
MW477.65 g/mol
LogP3.64
Rot. Bonds9

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

1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55397711) has the molecular formula C23H31N3O4S2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55397711
Molecular FormulaC23H31N3O4S2
Molecular Weight477.65 g/mol
Exact Mass477.18
IUPAC Name1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NC(c3cccs3)C(C)C)CC2=O)cc1
InChIInChI=1S/C23H31N3O4S2/c1-5-25(6-2)32(29,30)19-11-9-18(10-12-19)26-15-17(14-21(26)27)23(28)24-22(16(3)4)20-8-7-13-31-20/h7-13,16-17,22H,5-6,14-15H2,1-4H3,(H,24,28)
InChIKeyYCUKNVHFGGMORZ-UHFFFAOYSA-N
XLogP3.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(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
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 51565671
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55358524
N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55906465
(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 41137290

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 55397711) is 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NC(c3cccs3)C(C)C)CC2=O)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YCUKNVHFGGMORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S2/c1-5-25(6-2)32(29,30)19-11-9-18(10-12-19)26-15-17(14-21(26)27)23(28)24-22(16(3)4)20-8-7-13-31-20/h7-13,16-17,22H,5-6,14-15H2,1-4H3,(H,24,28).
What are the key properties of 1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 477.65 g/mol, XLogP of 3.64, 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-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55397711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).