N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide

C17H16N2OS — CID 7937569

IUPACN-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
SMILESC[C@H](SCC(=O)Nc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C17H16N2OS/c1-13(14-7-3-2-4-8-14)21-12-17(20)19-16-10-6-5-9-15(16)11-18/h2-10,13H,12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyBYIRIMOWSIJXHY-ZDUSSCGKSA-N
MW296.40 g/mol
LogP3.99
Rot. Bonds5

About N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide

N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide (PubChem CID 7937569) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
PubChem CID7937569
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
SMILESC[C@H](SCC(=O)Nc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C17H16N2OS/c1-13(14-7-3-2-4-8-14)21-12-17(20)19-16-10-6-5-9-15(16)11-18/h2-10,13H,12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyBYIRIMOWSIJXHY-ZDUSSCGKSA-N
XLogP3.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244452
2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid
CID 17341369
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
2-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81222454
5-(2-cyanoanilino)-3-methyl-5-oxopentanoic acid
CID 55155791
[2-(2-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7266075
N-(2-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 28564149
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237268
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
CID 7509866
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide (CID 7937569) is N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide is C[C@H](SCC(=O)Nc1ccccc1C#N)c1ccccc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The InChIKey is BYIRIMOWSIJXHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-13(14-7-3-2-4-8-14)21-12-17(20)19-16-10-6-5-9-15(16)11-18/h2-10,13H,12H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide?
N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide has a molecular weight of 296.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide is sourced from PubChem (CID 7937569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).