2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide

C15H11ClN2OS — CID 2390775

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H11ClN2OS/c16-12-6-2-4-8-14(12)20-10-15(19)18-13-7-3-1-5-11(13)9-17/h1-8H,10H2,(H,18,19)
InChIKeyVFEQDRYLQCUJIY-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.94
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide (PubChem CID 2390775) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
PubChem CID2390775
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H11ClN2OS/c16-12-6-2-4-8-14(12)20-10-15(19)18-13-7-3-1-5-11(13)9-17/h1-8H,10H2,(H,18,19)
InChIKeyVFEQDRYLQCUJIY-UHFFFAOYSA-N
XLogP3.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide
CID 79194235
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701692
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7937569
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate
CID 2554185
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199
N-(2-cyanophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244452

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide (CID 2390775) is 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide?
The InChIKey is VFEQDRYLQCUJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-6-2-4-8-14(12)20-10-15(19)18-13-7-3-1-5-11(13)9-17/h1-8H,10H2,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide has a molecular weight of 302.79 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 2390775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).