2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

C19H20N2OS — CID 82177497

IUPAC2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSCc1cccc(C#N)c1)c1cccc(C)c1
InChIInChI=1S/C19H20N2OS/c1-3-21(18-9-4-6-15(2)10-18)19(22)14-23-13-17-8-5-7-16(11-17)12-20/h4-11H,3,13-14H2,1-2H3
InChIKeyLIFSVODWOAOPPZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.15
Rot. Bonds6

About 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 82177497) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID82177497
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSCc1cccc(C#N)c1)c1cccc(C)c1
InChIInChI=1S/C19H20N2OS/c1-3-21(18-9-4-6-15(2)10-18)19(22)14-23-13-17-8-5-7-16(11-17)12-20/h4-11H,3,13-14H2,1-2H3
InChIKeyLIFSVODWOAOPPZ-UHFFFAOYSA-N
XLogP4.15
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-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-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 112684612
2-[(3-cyanophenyl)methylsulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 8929088
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
propyl 2-[(3-cyanophenyl)methylsulfanyl]acetate
CID 82177663
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
2-[(3-cyanophenyl)methylsulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8965051
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 113180925
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992791
N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
CID 8964705
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide (CID 82177497) is 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CSCc1cccc(C#N)c1)c1cccc(C)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is LIFSVODWOAOPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-21(18-9-4-6-15(2)10-18)19(22)14-23-13-17-8-5-7-16(11-17)12-20/h4-11H,3,13-14H2,1-2H3.
What are the key properties of 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 82177497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).