3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C20H23N3O4S — CID 24613493

IUPAC3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C20H23N3O4S/c1-3-21-28(26,27)17-7-4-6-15(13-17)20(25)22-16-9-10-18(14(2)12-16)23-11-5-8-19(23)24/h4,6-7,9-10,12-13,21H,3,5,8,11H2,1-2H3,(H,22,25)
InChIKeyZXOUOWRZJJBQMZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.67
Rot. Bonds6

About 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 24613493) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID24613493
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C20H23N3O4S/c1-3-21-28(26,27)17-7-4-6-15(13-17)20(25)22-16-9-10-18(14(2)12-16)23-11-5-8-19(23)24/h4,6-7,9-10,12-13,21H,3,5,8,11H2,1-2H3,(H,22,25)
InChIKeyZXOUOWRZJJBQMZ-UHFFFAOYSA-N
XLogP2.67
TPSA95.58 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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128
3-(tert-butylsulfamoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747935
1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24613478
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 131952772
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 25420136
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 24613493) is 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is ZXOUOWRZJJBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-21-28(26,27)17-7-4-6-15(13-17)20(25)22-16-9-10-18(14(2)12-16)23-11-5-8-19(23)24/h4,6-7,9-10,12-13,21H,3,5,8,11H2,1-2H3,(H,22,25).
What are the key properties of 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 24613493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).