2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide

C21H27NO2S — CID 133244583

IUPAC2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)C(C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO2S/c1-4-5-18-8-10-19(11-9-18)24-15-14-22-21(23)17(3)25-20-12-6-16(2)7-13-20/h6-13,17H,4-5,14-15H2,1-3H3,(H,22,23)
InChIKeyCNEGCCRAXNOIJI-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.62
Rot. Bonds9

About 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide

2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide (PubChem CID 133244583) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide
PubChem CID133244583
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)C(C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO2S/c1-4-5-18-8-10-19(11-9-18)24-15-14-22-21(23)17(3)25-20-12-6-16(2)7-13-20/h6-13,17H,4-5,14-15H2,1-3H3,(H,22,23)
InChIKeyCNEGCCRAXNOIJI-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]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

(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
(2S)-N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126134346
1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
CID 70468541

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide (CID 133244583) is 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide is CCCc1ccc(OCCNC(=O)C(C)Sc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide?
The InChIKey is CNEGCCRAXNOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-4-5-18-8-10-19(11-9-18)24-15-14-22-21(23)17(3)25-20-12-6-16(2)7-13-20/h6-13,17H,4-5,14-15H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide?
2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide has a molecular weight of 357.52 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133244583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).