(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide

C19H23NO3S — CID 95786472

IUPAC(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide
SMILESC[C@H](CS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-15(14-24(2,22)23)19(21)20-18(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,20,21)/t15-,18+/m1/s1
InChIKeyCVZPHEXSUADUAN-QAPCUYQASA-N
MW345.46 g/mol
LogP2.77
Rot. Bonds7

About (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide

(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide (PubChem CID 95786472) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide
PubChem CID95786472
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide
SMILESC[C@H](CS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-15(14-24(2,22)23)19(21)20-18(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,20,21)/t15-,18+/m1/s1
InChIKeyCVZPHEXSUADUAN-QAPCUYQASA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
CID 21419374
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
1,2-diphenylethylurea
CID 2853470
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
2-amino-N-(1,2-diphenylethyl)pentanamide;hydrochloride
CID 119271471
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
N-(2-methylsulfonyl-1-phenylethyl)-2-thiophen-3-ylpropanamide
CID 75382281
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-methylsulfonylpropanamide
CID 122144544
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]-4-phenylbutanoic acid
CID 120686336
tert-butyl N-[2-hydroxy-3-[(2-methyl-3-methylsulfonylpropanoyl)amino]-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 18731989

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide (CID 95786472) is (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide is C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide?
The InChIKey is CVZPHEXSUADUAN-QAPCUYQASA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15(14-24(2,22)23)19(21)20-18(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,20,21)/t15-,18+/m1/s1.
What are the key properties of (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide?
(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide has a molecular weight of 345.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 95786472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).