N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide

C15H23NO3S — CID 96531863

IUPACN-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide
SMILESCCN(C(=O)CCc1ccccc1)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-4-16(13(2)12-20(3,18)19)15(17)11-10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3/t13-/m1/s1
InChIKeyZYEIAACEUGGBLI-CYBMUJFWSA-N
MW297.42 g/mol
LogP1.90
Rot. Bonds7

About N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide

N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide (PubChem CID 96531863) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide
PubChem CID96531863
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide
SMILESCCN(C(=O)CCc1ccccc1)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-4-16(13(2)12-20(3,18)19)15(17)11-10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3/t13-/m1/s1
InChIKeyZYEIAACEUGGBLI-CYBMUJFWSA-N
XLogP1.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
4-[3-[ethyl(propan-2-yl)amino]-3-oxopropyl]benzenesulfonyl chloride
CID 65371650
2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
CID 96531857
1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea
CID 96532269
3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
CID 55009959
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
3-[ethyl-[3-(3-methoxyphenyl)propanoyl]amino]butanoic acid
CID 62827595
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
3-[2-(2-chlorophenyl)ethyl]-1-ethyl-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
CID 95767545
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439
(2R)-N-[(2R)-butan-2-yl]-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100626772
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide (CID 96531863) is N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide is CCN(C(=O)CCc1ccccc1)[C@H](C)CS(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide?
The InChIKey is ZYEIAACEUGGBLI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-16(13(2)12-20(3,18)19)15(17)11-10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3/t13-/m1/s1.
What are the key properties of N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide?
N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 96531863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).