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

C17H16N2OS — CID 8967089

IUPACN-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide
SMILESN#Cc1ccccc1CSCC(=O)NCc1ccccc1
InChIInChI=1S/C17H16N2OS/c18-10-15-8-4-5-9-16(15)12-21-13-17(20)19-11-14-6-2-1-3-7-14/h1-9H,11-13H2,(H,19,20)
InChIKeyIRPCSLXYYMIMDL-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.11
Rot. Bonds6

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

N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide (PubChem CID 8967089) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide
PubChem CID8967089
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide
SMILESN#Cc1ccccc1CSCC(=O)NCc1ccccc1
InChIInChI=1S/C17H16N2OS/c18-10-15-8-4-5-9-16(15)12-21-13-17(20)19-11-14-6-2-1-3-7-14/h1-9H,11-13H2,(H,19,20)
InChIKeyIRPCSLXYYMIMDL-UHFFFAOYSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanophenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8967852
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 24548844
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-phenylsulfanylacetamide
CID 8757140
N-[(2R)-butan-2-yl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967589
2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55766106
3-[[2-(benzylamino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 94804307
N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967300
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8967350
methyl 4-[[2-[(2-cyanophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 8967384
2-[(2-cyanophenyl)methylsulfanylmethyl]benzoic acid
CID 82178025
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide (CID 8967089) is N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide is N#Cc1ccccc1CSCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The InChIKey is IRPCSLXYYMIMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c18-10-15-8-4-5-9-16(15)12-21-13-17(20)19-11-14-6-2-1-3-7-14/h1-9H,11-13H2,(H,19,20).
What are the key properties of N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide has a molecular weight of 296.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8967089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).