N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide

C14H11Cl2NOS — CID 963352

IUPACN-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c15-11-7-4-8-12(16)14(11)17-13(18)9-19-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeySITPOTAWJJRUSC-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.72
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide

N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide (PubChem CID 963352) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
PubChem CID963352
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC NameN-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c15-11-7-4-8-12(16)14(11)17-13(18)9-19-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeySITPOTAWJJRUSC-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43299333
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 38016758
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 60594383
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
CID 167825999
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 7590618

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide (CID 963352) is N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide?
The InChIKey is SITPOTAWJJRUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c15-11-7-4-8-12(16)14(11)17-13(18)9-19-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide?
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide has a molecular weight of 312.22 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 963352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).