2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C19H20N2OS2 — CID 55741154

IUPAC2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)CSCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2OS2/c1-15-2-8-18(9-3-15)24-11-10-21-19(22)14-23-13-17-6-4-16(12-20)5-7-17/h2-9H,10-11,13-14H2,1H3,(H,21,22)
InChIKeyCPSBWFPDAQYWFE-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.01
Rot. Bonds8

About 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 55741154) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID55741154
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)CSCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2OS2/c1-15-2-8-18(9-3-15)24-11-10-21-19(22)14-23-13-17-6-4-16(12-20)5-7-17/h2-9H,10-11,13-14H2,1H3,(H,21,22)
InChIKeyCPSBWFPDAQYWFE-UHFFFAOYSA-N
XLogP4.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2284206
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 2897719
2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 55919381
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 92680272
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55753204
N-[3-[benzyl(methyl)amino]propyl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide
CID 55738018
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 99955364
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445375
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 55386745

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 55741154) is 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCNC(=O)CSCc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is CPSBWFPDAQYWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-15-2-8-18(9-3-15)24-11-10-21-19(22)14-23-13-17-6-4-16(12-20)5-7-17/h2-9H,10-11,13-14H2,1H3,(H,21,22).
What are the key properties of 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 356.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 55741154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).