N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide

C23H34N4O5S — CID 51565671

IUPACN,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1
InChIInChI=1S/C23H34N4O5S/c1-5-26(6-2)33(31,32)20-9-7-19(8-10-20)27-16-18(15-21(27)28)23(30)25-13-11-24(12-14-25)22(29)17(3)4/h7-10,17-18H,5-6,11-16H2,1-4H3/t18-/m1/s1
InChIKeyWDOMPJKAAITACE-GOSISDBHSA-N
MW478.62 g/mol
LogP1.40
Rot. Bonds7

About N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide

N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 51565671) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
PubChem CID51565671
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1
InChIInChI=1S/C23H34N4O5S/c1-5-26(6-2)33(31,32)20-9-7-19(8-10-20)27-16-18(15-21(27)28)23(30)25-13-11-24(12-14-25)22(29)17(3)4/h7-10,17-18H,5-6,11-16H2,1-4H3/t18-/m1/s1
InChIKeyWDOMPJKAAITACE-GOSISDBHSA-N
XLogP1.40
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
N-[4-(diethylsulfamoyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081891
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
4-[(4S)-4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-2-oxopyrrolidin-1-yl]-N,N-diethylbenzenesulfonamide
CID 39911262
N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 55359689
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(2-methylphenyl)methyl 1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 46669757
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55397711

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide (CID 51565671) is N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1.
What is the InChIKey of N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is WDOMPJKAAITACE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-5-26(6-2)33(31,32)20-9-7-19(8-10-20)27-16-18(15-21(27)28)23(30)25-13-11-24(12-14-25)22(29)17(3)4/h7-10,17-18H,5-6,11-16H2,1-4H3/t18-/m1/s1.
What are the key properties of N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 478.62 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 51565671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).