2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C19H23NO3S — CID 78811294

IUPAC2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCSc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-14-4-7-17(8-5-14)24-11-10-20-19(21)13-15-12-16(22-2)6-9-18(15)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyUBIQRCKCOLBQAG-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.46
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 78811294) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID78811294
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCSc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-14-4-7-17(8-5-14)24-11-10-20-19(21)13-15-12-16(22-2)6-9-18(15)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyUBIQRCKCOLBQAG-UHFFFAOYSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]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-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 78882858
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46466206
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8952460
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 8997761
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2283290
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30215375
2-(2,5-dimethoxyphenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 78892262

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 78811294) is 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is COc1ccc(OC)c(CC(=O)NCCSc2ccc(C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is UBIQRCKCOLBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-4-7-17(8-5-14)24-11-10-20-19(21)13-15-12-16(22-2)6-9-18(15)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 78811294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).