N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H20F2N2O4S — CID 42905354

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2=O)cc1
InChIInChI=1S/C20H20F2N2O4S/c1-2-13-3-7-16(8-4-13)24-12-14(11-18(24)25)19(26)23-15-5-9-17(10-6-15)29(27,28)20(21)22/h3-10,14,20H,2,11-12H2,1H3,(H,23,26)
InChIKeyXGZZENUFGJRPCK-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.24
Rot. Bonds6

About N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42905354) has the molecular formula C20H20F2N2O4S and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42905354
Molecular FormulaC20H20F2N2O4S
Molecular Weight422.45 g/mol
Exact Mass422.11
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2=O)cc1
InChIInChI=1S/C20H20F2N2O4S/c1-2-13-3-7-16(8-4-13)24-12-14(11-18(24)25)19(26)23-15-5-9-17(10-6-15)29(27,28)20(21)22/h3-10,14,20H,2,11-12H2,1H3,(H,23,26)
InChIKeyXGZZENUFGJRPCK-UHFFFAOYSA-N
XLogP3.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
1-[4-(dimethylamino)phenyl]-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189650
N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3620424
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 51935594
(3R)-1-(3,5-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005233
(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964170
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412974

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42905354) is N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2=O)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XGZZENUFGJRPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4S/c1-2-13-3-7-16(8-4-13)24-12-14(11-18(24)25)19(26)23-15-5-9-17(10-6-15)29(27,28)20(21)22/h3-10,14,20H,2,11-12H2,1H3,(H,23,26).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42905354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).