2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

C19H23NO2S — CID 43916117

IUPAC2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCc1ccc(SCCNC(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C19H23NO2S/c1-14-8-10-17(11-9-14)23-13-12-20-19(21)16(3)22-18-7-5-4-6-15(18)2/h4-11,16H,12-13H2,1-3H3,(H,20,21)
InChIKeyLTNZJWDFAKJZGD-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.98
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (PubChem CID 43916117) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
PubChem CID43916117
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCc1ccc(SCCNC(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C19H23NO2S/c1-14-8-10-17(11-9-14)23-13-12-20-19(21)16(3)22-18-7-5-4-6-15(18)2/h4-11,16H,12-13H2,1-3H3,(H,20,21)
InChIKeyLTNZJWDFAKJZGD-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]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
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 94012917
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 43875466
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
(2R)-2-(2-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 30382529

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (CID 43916117) is 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is Cc1ccc(SCCNC(=O)C(C)Oc2ccccc2C)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The InChIKey is LTNZJWDFAKJZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-8-10-17(11-9-14)23-13-12-20-19(21)16(3)22-18-7-5-4-6-15(18)2/h4-11,16H,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is sourced from PubChem (CID 43916117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).