2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide

C19H23NO2S — CID 40545696

IUPAC2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1ccc(OCCCSCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-7-9-18(10-8-15)22-11-4-12-23-14-19(21)20-17-6-3-5-16(2)13-17/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,20,21)
InChIKeyYGNWUXKXQNVTML-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.44
Rot. Bonds8

About 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide

2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 40545696) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID40545696
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1ccc(OCCCSCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-7-9-18(10-8-15)22-11-4-12-23-14-19(21)20-17-6-3-5-16(2)13-17/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,20,21)
InChIKeyYGNWUXKXQNVTML-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide 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

2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26676729
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetic acid
CID 43352223
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 24574595
butyl 4-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732126
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide (CID 40545696) is 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide is Cc1ccc(OCCCSCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is YGNWUXKXQNVTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-7-9-18(10-8-15)22-11-4-12-23-14-19(21)20-17-6-3-5-16(2)13-17/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide?
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 40545696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).