4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C18H18N2O3S — CID 25472925

IUPAC4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESC[S@](=O)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C18H18N2O3S/c1-24(23)16-9-7-13(8-10-16)18(22)19-14-4-2-5-15(12-14)20-11-3-6-17(20)21/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,22)/t24-/m0/s1
InChIKeyYWDBKZRQRGCJCD-DEOSSOPVSA-N
MW342.42 g/mol
LogP2.80
Rot. Bonds4

About 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 25472925) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID25472925
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESC[S@](=O)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C18H18N2O3S/c1-24(23)16-9-7-13(8-10-16)18(22)19-14-4-2-5-15(12-14)20-11-3-6-17(20)21/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,22)/t24-/m0/s1
InChIKeyYWDBKZRQRGCJCD-DEOSSOPVSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide
CID 94105507
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
4-(methoxysulfamoyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55704261
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46438099

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 25472925) is 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is C[S@](=O)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is YWDBKZRQRGCJCD-DEOSSOPVSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-24(23)16-9-7-13(8-10-16)18(22)19-14-4-2-5-15(12-14)20-11-3-6-17(20)21/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,22)/t24-/m0/s1.
What are the key properties of 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 342.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 25472925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).