2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide

C19H23NO3S — CID 110357212

IUPAC2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide
SMILESCC(Cc1ccccc1)(C(=O)NCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-19(17-11-7-4-8-12-17,15-16-9-5-3-6-10-16)18(21)20-13-14-24(2,22)23/h3-12H,13-15H2,1-2H3,(H,20,21)
InChIKeyAXIJSFLEPYMXOV-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.35
Rot. Bonds7

About 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide

2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide (PubChem CID 110357212) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide
PubChem CID110357212
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide
SMILESCC(Cc1ccccc1)(C(=O)NCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-19(17-11-7-4-8-12-17,15-16-9-5-3-6-10-16)18(21)20-13-14-24(2,22)23/h3-12H,13-15H2,1-2H3,(H,20,21)
InChIKeyAXIJSFLEPYMXOV-UHFFFAOYSA-N
XLogP2.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide
CID 110309440
2-methyl-2,3-diphenyl-N-propan-2-ylpropanamide
CID 110299373
2-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
2-methyl-2,3-diphenyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110301638
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide
CID 120589008
3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide
CID 110883737
2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957521
2-[[1-(2-methylsulfonylethylamino)-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 22901009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide?
The IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide (CID 110357212) is 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide is CC(Cc1ccccc1)(C(=O)NCCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide?
The InChIKey is AXIJSFLEPYMXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-19(17-11-7-4-8-12-17,15-16-9-5-3-6-10-16)18(21)20-13-14-24(2,22)23/h3-12H,13-15H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide?
2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide has a molecular weight of 345.46 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide is sourced from PubChem (CID 110357212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).