(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide

C17H19NO2S — CID 31790666

IUPAC(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCCSc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-14(20-15-8-4-2-5-9-15)17(19)18-12-13-21-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyMPEFIBQCROTOHY-CQSZACIVSA-N
MW301.41 g/mol
LogP3.36
Rot. Bonds7

About (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide

(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 31790666) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
PubChem CID31790666
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCCSc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-14(20-15-8-4-2-5-9-15)17(19)18-12-13-21-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyMPEFIBQCROTOHY-CQSZACIVSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide 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

(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173170
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
CID 21173333
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
N-ethyl-2-phenoxypropanamide
CID 4282518
1-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-3-(2-phenylsulfanylethyl)thiourea
CID 9094304

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide (CID 31790666) is (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide is C[C@@H](Oc1ccccc1)C(=O)NCCSc1ccccc1.
What is the InChIKey of (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is MPEFIBQCROTOHY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-14(20-15-8-4-2-5-9-15)17(19)18-12-13-21-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide?
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 301.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 31790666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).