2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide

C16H15Cl2N3O2S — CID 2526440

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2S/c1-9-13(17)7-14(18)16(19-9)21-15(23)8-24-12-5-3-11(4-6-12)20-10(2)22/h3-7H,8H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyQDRDOFWQGPDUAB-UHFFFAOYSA-N
MW384.29 g/mol
LogP4.39
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide (PubChem CID 2526440) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
PubChem CID2526440
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2S/c1-9-13(17)7-14(18)16(19-9)21-15(23)8-24-12-5-3-11(4-6-12)20-10(2)22/h3-7H,8H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyQDRDOFWQGPDUAB-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-naphthalen-2-ylsulfanylacetamide
CID 7793089
2-(2-chlorophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 5028291
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4530937
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-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 16523750
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 2078216
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide (CID 2526440) is 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
The InChIKey is QDRDOFWQGPDUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c1-9-13(17)7-14(18)16(19-9)21-15(23)8-24-12-5-3-11(4-6-12)20-10(2)22/h3-7H,8H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide has a molecular weight of 384.29 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 2526440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).