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

C16H14Cl3NOS — CID 17309878

IUPACN-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NOS/c1-10-12(17)3-2-4-15(10)20-16(21)9-22-8-11-5-6-13(18)14(19)7-11/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyYYXGCSZMCCDBAT-UHFFFAOYSA-N
MW374.72 g/mol
LogP5.83
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 17309878) has the molecular formula C16H14Cl3NOS and a molecular weight of 374.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID17309878
Molecular FormulaC16H14Cl3NOS
Molecular Weight374.72 g/mol
Exact Mass372.99
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NOS/c1-10-12(17)3-2-4-15(10)20-16(21)9-22-8-11-5-6-13(18)14(19)7-11/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyYYXGCSZMCCDBAT-UHFFFAOYSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 53279072
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574853
methyl 4-chloro-3-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 92681215
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46771851
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 7699071
N-(3-chloro-2-methylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9403978
N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
CID 17312378
ethyl 3-chloro-4-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 92673077
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 17309830
N-butyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 17310014
N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 51077098

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (CID 17309878) is N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is Cc1c(Cl)cccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is YYXGCSZMCCDBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NOS/c1-10-12(17)3-2-4-15(10)20-16(21)9-22-8-11-5-6-13(18)14(19)7-11/h2-7H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 374.72 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 17309878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).