N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

C16H16Cl2N2OS — CID 2085859

IUPACN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1C
InChIInChI=1S/C16H16Cl2N2OS/c1-9-4-5-12(6-10(9)2)22-8-14(21)20-16-15(18)11(3)13(17)7-19-16/h4-7H,8H2,1-3H3,(H,19,20,21)
InChIKeyIUNMOIGTRMJTQO-UHFFFAOYSA-N
MW355.29 g/mol
LogP5.04
Rot. Bonds4

About N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2085859) has the molecular formula C16H16Cl2N2OS and a molecular weight of 355.29 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID2085859
Molecular FormulaC16H16Cl2N2OS
Molecular Weight355.29 g/mol
Exact Mass354.04
IUPAC NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1C
InChIInChI=1S/C16H16Cl2N2OS/c1-9-4-5-12(6-10(9)2)22-8-14(21)20-16-15(18)11(3)13(17)7-19-16/h4-7H,8H2,1-3H3,(H,19,20,21)
InChIKeyIUNMOIGTRMJTQO-UHFFFAOYSA-N
XLogP5.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.29
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 7364423
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
CID 27923574
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 18288638
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2545100
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
CID 2161543
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2608713
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2662786
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16570386
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979
N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8800613
N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591556

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 2085859) is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1C.
What is the InChIKey of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is IUNMOIGTRMJTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2OS/c1-9-4-5-12(6-10(9)2)22-8-14(21)20-16-15(18)11(3)13(17)7-19-16/h4-7H,8H2,1-3H3,(H,19,20,21).
What are the key properties of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 355.29 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2085859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).