N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide

C16H14Cl2N2O2S — CID 4797149

IUPACN-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2S/c1-10(21)19-11-4-2-5-12(8-11)20-15(22)9-23-16-13(17)6-3-7-14(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyQUMPAUSHQKZJQN-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.68
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide (PubChem CID 4797149) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
PubChem CID4797149
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC NameN-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2S/c1-10(21)19-11-4-2-5-12(8-11)20-15(22)9-23-16-13(17)6-3-7-14(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyQUMPAUSHQKZJQN-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
CID 7466998
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248
2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7466905
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 46769269
N-(3-acetamidophenyl)-2-butylsulfanylacetamide
CID 31858519
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467403

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide (CID 4797149) is N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide?
The InChIKey is QUMPAUSHQKZJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-10(21)19-11-4-2-5-12(8-11)20-15(22)9-23-16-13(17)6-3-7-14(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide has a molecular weight of 369.27 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 4797149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).