(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide

C18H21NO2S — CID 9173170

IUPAC(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-8-10-16(11-9-14)21-15(2)18(20)19-12-13-22-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyKVGPMLJPDCRNIK-OAHLLOKOSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds7

About (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide

(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 9173170) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
PubChem CID9173170
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-8-10-16(11-9-14)21-15(2)18(20)19-12-13-22-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyKVGPMLJPDCRNIK-OAHLLOKOSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 43916117
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
CID 21173333
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
CID 119528615
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
1-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-3-(2-phenylsulfanylethyl)thiourea
CID 9094304
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide (CID 9173170) is (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide is Cc1ccc(O[C@H](C)C(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is KVGPMLJPDCRNIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-8-10-16(11-9-14)21-15(2)18(20)19-12-13-22-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide?
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 9173170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).