N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide

C18H18N2O2S2 — CID 49153749

IUPACN-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1cccc(CSCC(=O)Nc2ccccc2SCC#N)c1
InChIInChI=1S/C18H18N2O2S2/c1-22-15-6-4-5-14(11-15)12-23-13-18(21)20-16-7-2-3-8-17(16)24-10-9-19/h2-8,11H,10,12-13H2,1H3,(H,20,21)
InChIKeyVEJHKZKBWWJSES-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.18
Rot. Bonds8

About N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide

N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 49153749) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID49153749
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1cccc(CSCC(=O)Nc2ccccc2SCC#N)c1
InChIInChI=1S/C18H18N2O2S2/c1-22-15-6-4-5-14(11-15)12-23-13-18(21)20-16-7-2-3-8-17(16)24-10-9-19/h2-8,11H,10,12-13H2,1H3,(H,20,21)
InChIKeyVEJHKZKBWWJSES-UHFFFAOYSA-N
XLogP4.18
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyanomethylsulfanyl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780898
2-[(3-cyanophenyl)methylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 8964683
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7484459
2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 49153538
N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8633936
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769045
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 7965502
4-O-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239639
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-methoxybenzoate
CID 7485676
N-[2-(cyanomethylsulfanyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797362

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide (CID 49153749) is N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide is COc1cccc(CSCC(=O)Nc2ccccc2SCC#N)c1.
What is the InChIKey of N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is VEJHKZKBWWJSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-22-15-6-4-5-14(11-15)12-23-13-18(21)20-16-7-2-3-8-17(16)24-10-9-19/h2-8,11H,10,12-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide?
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 49153749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).