N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H31N3O5S — CID 6494535

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2=O)cc1
InChIInChI=1S/C25H31N3O5S/c1-2-33-22-12-10-21(11-13-22)28-17-18(16-24(28)29)25(30)26-19-8-14-23(15-9-19)34(31,32)27-20-6-4-3-5-7-20/h8-15,18,20,27H,2-7,16-17H2,1H3,(H,26,30)
InChIKeyHTSWDKKDCPDJRG-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.69
Rot. Bonds8

About N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6494535) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6494535
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2=O)cc1
InChIInChI=1S/C25H31N3O5S/c1-2-33-22-12-10-21(11-13-22)28-17-18(16-24(28)29)25(30)26-19-8-14-23(15-9-19)34(31,32)27-20-6-4-3-5-7-20/h8-15,18,20,27H,2-7,16-17H2,1H3,(H,26,30)
InChIKeyHTSWDKKDCPDJRG-UHFFFAOYSA-N
XLogP3.69
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1249284
(3R)-1-(4-ethoxyphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41002488
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40783780
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41002496
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498477
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29449318

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 6494535) is N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2=O)cc1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HTSWDKKDCPDJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-2-33-22-12-10-21(11-13-22)28-17-18(16-24(28)29)25(30)26-19-8-14-23(15-9-19)34(31,32)27-20-6-4-3-5-7-20/h8-15,18,20,27H,2-7,16-17H2,1H3,(H,26,30).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6494535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).