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

C20H23N3O4S — CID 51935594

IUPAC(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-2-3-14-4-8-17(9-5-14)23-13-15(12-19(23)24)20(25)22-16-6-10-18(11-7-16)28(21,26)27/h4-11,15H,2-3,12-13H2,1H3,(H,22,25)(H2,21,26,27)/t15-/m1/s1
InChIKeyAMSJNLBKPFDKDQ-OAHLLOKOSA-N
MW401.49 g/mol
LogP2.28
Rot. Bonds6

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

(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 51935594) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID51935594
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-2-3-14-4-8-17(9-5-14)23-13-15(12-19(23)24)20(25)22-16-6-10-18(11-7-16)28(21,26)27/h4-11,15H,2-3,12-13H2,1H3,(H,22,25)(H2,21,26,27)/t15-/m1/s1
InChIKeyAMSJNLBKPFDKDQ-OAHLLOKOSA-N
XLogP2.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412974
N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42905354
5-oxo-1-(4-propan-2-ylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 131894541
(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
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 40964120
1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120183
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3R)-1-(4-ethoxyphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41002488

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 51935594) is (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1.
What is the InChIKey of (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is AMSJNLBKPFDKDQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-2-3-14-4-8-17(9-5-14)23-13-15(12-19(23)24)20(25)22-16-6-10-18(11-7-16)28(21,26)27/h4-11,15H,2-3,12-13H2,1H3,(H,22,25)(H2,21,26,27)/t15-/m1/s1.
What are the key properties of (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51935594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).