(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide

C18H21NO2S — CID 30369620

IUPAC(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
SMILESCc1cccc(OCCNC(=O)[C@@H](C)Sc2ccccc2)c1
InChIInChI=1S/C18H21NO2S/c1-14-7-6-8-16(13-14)21-12-11-19-18(20)15(2)22-17-9-4-3-5-10-17/h3-10,13,15H,11-12H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyZRUWHNBEVXOPLU-OAHLLOKOSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds7

About (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide

(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide (PubChem CID 30369620) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
PubChem CID30369620
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
SMILESCc1cccc(OCCNC(=O)[C@@H](C)Sc2ccccc2)c1
InChIInChI=1S/C18H21NO2S/c1-14-7-6-8-16(13-14)21-12-11-19-18(20)15(2)22-17-9-4-3-5-10-17/h3-10,13,15H,11-12H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyZRUWHNBEVXOPLU-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'}

Analyze (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide 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)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 86923044
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
3-[2-(2-ethylsulfanylpropanoylamino)ethoxy]benzoic acid
CID 118795726
3-[2-[[(2R)-2-ethylsulfanylpropanoyl]amino]ethoxy]benzoic acid
CID 125178578

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide (CID 30369620) is (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide is Cc1cccc(OCCNC(=O)[C@@H](C)Sc2ccccc2)c1.
What is the InChIKey of (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide?
The InChIKey is ZRUWHNBEVXOPLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-7-6-8-16(13-14)21-12-11-19-18(20)15(2)22-17-9-4-3-5-10-17/h3-10,13,15H,11-12H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide?
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide 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)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 30369620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).