N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide

C17H16N2O2S — CID 86927196

IUPACN-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
SMILESCc1cccc(CS(=O)CC(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H16N2O2S/c1-13-4-2-6-15(8-13)11-22(21)12-17(20)19-16-7-3-5-14(9-16)10-18/h2-9H,11-12H2,1H3,(H,19,20)
InChIKeyJYWRIQUSYDPDTE-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.75
Rot. Bonds5

About N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide

N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide (PubChem CID 86927196) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
PubChem CID86927196
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
SMILESCc1cccc(CS(=O)CC(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H16N2O2S/c1-13-4-2-6-15(8-13)11-22(21)12-17(20)19-16-7-3-5-14(9-16)10-18/h2-9H,11-12H2,1H3,(H,19,20)
InChIKeyJYWRIQUSYDPDTE-UHFFFAOYSA-N
XLogP2.75
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
CID 64692063
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
CID 154772767
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
CID 64691051
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(3-cyanophenyl)-4-propylsulfinylbutanamide
CID 64690477
3-butylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64692135
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide (CID 86927196) is N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide is Cc1cccc(CS(=O)CC(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide?
The InChIKey is JYWRIQUSYDPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-13-4-2-6-15(8-13)11-22(21)12-17(20)19-16-7-3-5-14(9-16)10-18/h2-9H,11-12H2,1H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide?
N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 86927196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).