3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide

C16H17NO2S — CID 10541305

IUPAC3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2S/c1-17(14-8-4-2-5-9-14)16(18)12-13-20(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyKUQXUEAJZIHJMB-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.85
Rot. Bonds5

About 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide

3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide (PubChem CID 10541305) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide
PubChem CID10541305
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2S/c1-17(14-8-4-2-5-9-14)16(18)12-13-20(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyKUQXUEAJZIHJMB-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide (CID 10541305) is 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide is CN(C(=O)CCS(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide?
The InChIKey is KUQXUEAJZIHJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-17(14-8-4-2-5-9-14)16(18)12-13-20(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide?
3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide has a molecular weight of 287.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 10541305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).