N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide

C20H22N2O4S — CID 39862925

IUPACN-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-2-27(25,26)18-12-8-16(9-13-18)21-20(24)15-6-10-17(11-7-15)22-14-4-3-5-19(22)23/h6-13H,2-5,14H2,1H3,(H,21,24)
InChIKeyAPUXNQAQTSIXFY-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.25
Rot. Bonds5

About N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide

N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 39862925) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID39862925
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-2-27(25,26)18-12-8-16(9-13-18)21-20(24)15-6-10-17(11-7-15)22-14-4-3-5-19(22)23/h6-13H,2-5,14H2,1H3,(H,21,24)
InChIKeyAPUXNQAQTSIXFY-UHFFFAOYSA-N
XLogP3.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 32620770
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide (CID 39862925) is N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide is CCS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is APUXNQAQTSIXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-2-27(25,26)18-12-8-16(9-13-18)21-20(24)15-6-10-17(11-7-15)22-14-4-3-5-19(22)23/h6-13H,2-5,14H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide?
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 39862925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).