2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide

C16H15Cl2NOS — CID 4255523

IUPAC2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCCSc1ccccc1
InChIInChI=1S/C16H15Cl2NOS/c17-14-7-4-8-15(18)13(14)11-16(20)19-9-10-21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyHUTSQPXAXRKPDQ-UHFFFAOYSA-N
MW340.27 g/mol
LogP4.44
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide

2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 4255523) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID4255523
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.27 g/mol
Exact Mass339.03
IUPAC Name2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCCSc1ccccc1
InChIInChI=1S/C16H15Cl2NOS/c17-14-7-4-8-15(18)13(14)11-16(20)19-9-10-21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyHUTSQPXAXRKPDQ-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 2208014
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
2-chloro-N-[3-oxo-1-phenyl-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 55389241
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
CID 100514943
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
3-(4-chlorophenyl)sulfanyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]propanamide
CID 126035220
2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509040
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 2301974
3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103979113
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide
CID 3486493
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide (CID 4255523) is 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide is O=C(Cc1c(Cl)cccc1Cl)NCCSc1ccccc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is HUTSQPXAXRKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c17-14-7-4-8-15(18)13(14)11-16(20)19-9-10-21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide?
2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 340.27 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 4255523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).