3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide

C18H22N2O3S — CID 131892392

IUPAC3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C18H22N2O3S/c1-24(22,23)14-11-18(21)20(15-17-9-5-6-12-19-17)13-10-16-7-3-2-4-8-16/h2-9,12H,10-11,13-15H2,1H3
InChIKeyJQWQLSRWHVEGAX-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.09
Rot. Bonds8

About 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide

3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 131892392) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID131892392
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C18H22N2O3S/c1-24(22,23)14-11-18(21)20(15-17-9-5-6-12-19-17)13-10-16-7-3-2-4-8-16/h2-9,12H,10-11,13-15H2,1H3
InChIKeyJQWQLSRWHVEGAX-UHFFFAOYSA-N
XLogP2.09
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 56764008
2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 74251298
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 113139775
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
1-butyl-3-(2-methylsulfonylethyl)-1-(pyridin-2-ylmethyl)urea
CID 122562929
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide (CID 131892392) is 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide is CS(=O)(=O)CCC(=O)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is JQWQLSRWHVEGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-24(22,23)14-11-18(21)20(15-17-9-5-6-12-19-17)13-10-16-7-3-2-4-8-16/h2-9,12H,10-11,13-15H2,1H3.
What are the key properties of 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide?
3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 131892392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).