(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide

C19H21N3O4S — CID 9412974

IUPAC(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-2-13-6-8-16(9-7-13)22-12-14(10-18(22)23)19(24)21-15-4-3-5-17(11-15)27(20,25)26/h3-9,11,14H,2,10,12H2,1H3,(H,21,24)(H2,20,25,26)/t14-/m1/s1
InChIKeyPETADESWHKTRND-CQSZACIVSA-N
MW387.46 g/mol
LogP1.89
Rot. Bonds5

About (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide

(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 9412974) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID9412974
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-2-13-6-8-16(9-7-13)22-12-14(10-18(22)23)19(24)21-15-4-3-5-17(11-15)27(20,25)26/h3-9,11,14H,2,10,12H2,1H3,(H,21,24)(H2,20,25,26)/t14-/m1/s1
InChIKeyPETADESWHKTRND-CQSZACIVSA-N
XLogP1.89
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46570341
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
N-(3-bromophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4667771
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 51935594
(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9071839
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412970
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412968
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528964

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 9412974) is (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is PETADESWHKTRND-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-2-13-6-8-16(9-7-13)22-12-14(10-18(22)23)19(24)21-15-4-3-5-17(11-15)27(20,25)26/h3-9,11,14H,2,10,12H2,1H3,(H,21,24)(H2,20,25,26)/t14-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide?
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9412974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).