N-(2-chlorophenyl)-2-phenacylsulfanylacetamide

C16H14ClNO2S — CID 704439

IUPACN-(2-chlorophenyl)-2-phenacylsulfanylacetamide
SMILESO=C(CSCC(=O)c1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C16H14ClNO2S/c17-13-8-4-5-9-14(13)18-16(20)11-21-10-15(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)
InChIKeyCXZVVLBNAWTVQU-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.89
Rot. Bonds6

About N-(2-chlorophenyl)-2-phenacylsulfanylacetamide

N-(2-chlorophenyl)-2-phenacylsulfanylacetamide (PubChem CID 704439) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-phenacylsulfanylacetamide
PubChem CID704439
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC NameN-(2-chlorophenyl)-2-phenacylsulfanylacetamide
SMILESO=C(CSCC(=O)c1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C16H14ClNO2S/c17-13-8-4-5-9-14(13)18-16(20)11-21-10-15(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)
InChIKeyCXZVVLBNAWTVQU-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-phenacylsulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-phenacylsulfanylacetamide (CID 704439) is N-(2-chlorophenyl)-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-phenacylsulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-phenacylsulfanylacetamide is O=C(CSCC(=O)c1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-phenacylsulfanylacetamide?
The InChIKey is CXZVVLBNAWTVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c17-13-8-4-5-9-14(13)18-16(20)11-21-10-15(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-phenacylsulfanylacetamide?
N-(2-chlorophenyl)-2-phenacylsulfanylacetamide has a molecular weight of 319.81 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-phenacylsulfanylacetamide is sourced from PubChem (CID 704439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).