N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C20H23N3O4S — CID 55948695

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C20H23N3O4S/c1-3-28(26,27)22-18-11-8-16(13-14(18)2)21-20(25)15-6-9-17(10-7-15)23-12-4-5-19(23)24/h6-11,13,22H,3-5,12H2,1-2H3,(H,21,25)
InChIKeyLZFMKBVEISKFSF-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.14
Rot. Bonds6

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55948695) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55948695
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C20H23N3O4S/c1-3-28(26,27)22-18-11-8-16(13-14(18)2)21-20(25)15-6-9-17(10-7-15)23-12-4-5-19(23)24/h6-11,13,22H,3-5,12H2,1-2H3,(H,21,25)
InChIKeyLZFMKBVEISKFSF-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55947681
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 39862925
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92685963
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30379951
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 55948695) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LZFMKBVEISKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-28(26,27)22-18-11-8-16(13-14(18)2)21-20(25)15-6-9-17(10-7-15)23-12-4-5-19(23)24/h6-11,13,22H,3-5,12H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 401.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55948695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).