N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide

C19H23NOS — CID 78851393

IUPACN-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide
SMILESCc1ccccc1CCNC(=O)CSC(C)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-15-8-6-7-9-17(15)12-13-20-19(21)14-22-16(2)18-10-4-3-5-11-18/h3-11,16H,12-14H2,1-2H3,(H,20,21)
InChIKeyOEZKGSOVMPCELL-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide

N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide (PubChem CID 78851393) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide
PubChem CID78851393
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide
SMILESCc1ccccc1CCNC(=O)CSC(C)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-15-8-6-7-9-17(15)12-13-20-19(21)14-22-16(2)18-10-4-3-5-11-18/h3-11,16H,12-14H2,1-2H3,(H,20,21)
InChIKeyOEZKGSOVMPCELL-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)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-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 60560991
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007647
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 55361033
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112722399
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide (CID 78851393) is N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide is Cc1ccccc1CCNC(=O)CSC(C)c1ccccc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide?
The InChIKey is OEZKGSOVMPCELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-15-8-6-7-9-17(15)12-13-20-19(21)14-22-16(2)18-10-4-3-5-11-18/h3-11,16H,12-14H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide?
N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide has a molecular weight of 313.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 78851393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).