N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide

C17H16Cl2N2O2S — CID 17309885

IUPACN-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(22)20-13-3-2-4-14(8-13)21-17(23)10-24-9-12-5-6-15(18)16(19)7-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNUZAWIHYVVAOSR-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.82
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide

N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 17309885) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID17309885
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC NameN-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(22)20-13-3-2-4-14(8-13)21-17(23)10-24-9-12-5-6-15(18)16(19)7-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNUZAWIHYVVAOSR-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46771851
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309878
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102555
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309965
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
N-(3-acetamidophenyl)-2-butylsulfanylacetamide
CID 31858519
N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 55532780

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (CID 17309885) is N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is CC(=O)Nc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is NUZAWIHYVVAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-11(22)20-13-3-2-4-14(8-13)21-17(23)10-24-9-12-5-6-15(18)16(19)7-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 383.30 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 17309885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).