N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide

C16H14N2O2S — CID 107467897

IUPACN-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
SMILESCOc1cccc(C#N)c1NC(=O)CSc1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-20-14-9-5-6-12(10-17)16(14)18-15(19)11-21-13-7-3-2-4-8-13/h2-9H,11H2,1H3,(H,18,19)
InChIKeyNDNVRUDUHXEBNG-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.30
Rot. Bonds5

About N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide

N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 107467897) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
PubChem CID107467897
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
SMILESCOc1cccc(C#N)c1NC(=O)CSc1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-20-14-9-5-6-12(10-17)16(14)18-15(19)11-21-13-7-3-2-4-8-13/h2-9H,11H2,1H3,(H,18,19)
InChIKeyNDNVRUDUHXEBNG-UHFFFAOYSA-N
XLogP3.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide
CID 107467787
1-butyl-3-(2-cyano-6-methoxyphenyl)urea
CID 107467258
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide (CID 107467897) is N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide is COc1cccc(C#N)c1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is NDNVRUDUHXEBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-14-9-5-6-12(10-17)16(14)18-15(19)11-21-13-7-3-2-4-8-13/h2-9H,11H2,1H3,(H,18,19).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide?
N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 298.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 107467897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).