1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C21H25N3O4S — CID 55656474

IUPAC1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1=O
InChIInChI=1S/C21H25N3O4S/c1-3-16-8-4-5-10-19(16)24-14-17(12-20(24)25)21(26)23-13-15-7-6-9-18(11-15)29(27,28)22-2/h4-11,17,22H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyRLUFPOKJGRKDFO-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.83
Rot. Bonds7

About 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55656474) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55656474
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1=O
InChIInChI=1S/C21H25N3O4S/c1-3-16-8-4-5-10-19(16)24-14-17(12-20(24)25)21(26)23-13-15-7-6-9-18(11-15)29(27,28)22-2/h4-11,17,22H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyRLUFPOKJGRKDFO-UHFFFAOYSA-N
XLogP1.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 119246761
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51146905
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2,6-diethylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113186866
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186874
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
1-(2,3-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191341
1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191727
(3R)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 31740367
N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119548686
1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55800666

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 55656474) is 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RLUFPOKJGRKDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-3-16-8-4-5-10-19(16)24-14-17(12-20(24)25)21(26)23-13-15-7-6-9-18(11-15)29(27,28)22-2/h4-11,17,22H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55656474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).