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

C17H13N3OS — CID 8967300

IUPACN-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
SMILESN#Cc1cccc(NC(=O)CSCc2ccccc2C#N)c1
InChIInChI=1S/C17H13N3OS/c18-9-13-4-3-7-16(8-13)20-17(21)12-22-11-15-6-2-1-5-14(15)10-19/h1-8H,11-12H2,(H,20,21)
InChIKeyVDMCWSQSFSBOPK-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.30
Rot. Bonds5

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

N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide (PubChem CID 8967300) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
PubChem CID8967300
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
SMILESN#Cc1cccc(NC(=O)CSCc2ccccc2C#N)c1
InChIInChI=1S/C17H13N3OS/c18-9-13-4-3-7-16(8-13)20-17(21)12-22-11-15-6-2-1-5-14(15)10-19/h1-8H,11-12H2,(H,20,21)
InChIKeyVDMCWSQSFSBOPK-UHFFFAOYSA-N
XLogP3.30
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727
2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 8967401
N-(4-bromo-3-methylphenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967245
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8967856
N-(3-cyanophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007041
2-[(2-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8967393
methyl 4-[[2-[(2-cyanophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 8967384
methyl 3-[[2-(3-cyanoanilino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 40679915
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8967517
N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
CID 63119187
N-[3-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanamide
CID 55760326

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide (CID 8967300) is N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide is N#Cc1cccc(NC(=O)CSCc2ccccc2C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The InChIKey is VDMCWSQSFSBOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c18-9-13-4-3-7-16(8-13)20-17(21)12-22-11-15-6-2-1-5-14(15)10-19/h1-8H,11-12H2,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide has a molecular weight of 307.38 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-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8967300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).