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

C16H13ClN2OS — CID 9269727

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSCc2ccccc2Cl)c1
InChIInChI=1S/C16H13ClN2OS/c17-15-7-2-1-5-13(15)10-21-11-16(20)19-14-6-3-4-12(8-14)9-18/h1-8H,10-11H2,(H,19,20)
InChIKeyZMMFAFAGJRXAPP-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.08
Rot. Bonds5

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

2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide (PubChem CID 9269727) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
PubChem CID9269727
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSCc2ccccc2Cl)c1
InChIInChI=1S/C16H13ClN2OS/c17-15-7-2-1-5-13(15)10-21-11-16(20)19-14-6-3-4-12(8-14)9-18/h1-8H,10-11H2,(H,19,20)
InChIKeyZMMFAFAGJRXAPP-UHFFFAOYSA-N
XLogP4.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967300
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
N-(3-cyanophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007041
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632549
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994
methyl 3-[[2-(3-cyanoanilino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 40679915
[2-(3-cyanoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 2453296
N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
CID 63119187
N-[3-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanamide
CID 55760326
N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18166286

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide (CID 9269727) is 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CSCc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide?
The InChIKey is ZMMFAFAGJRXAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c17-15-7-2-1-5-13(15)10-21-11-16(20)19-14-6-3-4-12(8-14)9-18/h1-8H,10-11H2,(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide has a molecular weight of 316.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 9269727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).