2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide

C15H13Cl3N2OS — CID 16523750

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
SMILESCc1nc(NC(=O)CSCc2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3N2OS/c1-9-12(17)6-13(18)15(19-9)20-14(21)8-22-7-10-2-4-11(16)5-3-10/h2-6H,7-8H2,1H3,(H,19,20,21)
InChIKeyLRFKOHVPWQSIAD-UHFFFAOYSA-N
MW375.71 g/mol
LogP5.22
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide (PubChem CID 16523750) has the molecular formula C15H13Cl3N2OS and a molecular weight of 375.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
PubChem CID16523750
Molecular FormulaC15H13Cl3N2OS
Molecular Weight375.71 g/mol
Exact Mass373.98
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
SMILESCc1nc(NC(=O)CSCc2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3N2OS/c1-9-12(17)6-13(18)15(19-9)20-14(21)8-22-7-10-2-4-11(16)5-3-10/h2-6H,7-8H2,1H3,(H,19,20,21)
InChIKeyLRFKOHVPWQSIAD-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.71
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773126
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-(2-chlorophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 5028291
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927698
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-naphthalen-2-ylsulfanylacetamide
CID 7793089
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4530937
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294902
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593045
2-[(4-aminophenyl)methylsulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 94804216
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 3952477

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide (CID 16523750) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide is Cc1nc(NC(=O)CSCc2ccc(Cl)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The InChIKey is LRFKOHVPWQSIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2OS/c1-9-12(17)6-13(18)15(19-9)20-14(21)8-22-7-10-2-4-11(16)5-3-10/h2-6H,7-8H2,1H3,(H,19,20,21).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide has a molecular weight of 375.71 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 16523750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).