2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide

C13H11Cl2N3OS — CID 75446518

IUPAC2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSCc1ncc(Cl)cc1Cl)Nc1ccccn1
InChIInChI=1S/C13H11Cl2N3OS/c14-9-5-10(15)11(17-6-9)7-20-8-13(19)18-12-3-1-2-4-16-12/h1-6H,7-8H2,(H,16,18,19)
InChIKeyKLPIWBQRWLACLQ-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.66
Rot. Bonds5

About 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide

2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 75446518) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide
PubChem CID75446518
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSCc1ncc(Cl)cc1Cl)Nc1ccccn1
InChIInChI=1S/C13H11Cl2N3OS/c14-9-5-10(15)11(17-6-9)7-20-8-13(19)18-12-3-1-2-4-16-12/h1-6H,7-8H2,(H,16,18,19)
InChIKeyKLPIWBQRWLACLQ-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498579
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 38016983
N-pyridin-2-yl-2-(trifluoromethylsulfanyl)acetamide
CID 2319940
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 68934305
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide (CID 75446518) is 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide is O=C(CSCc1ncc(Cl)cc1Cl)Nc1ccccn1.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is KLPIWBQRWLACLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c14-9-5-10(15)11(17-6-9)7-20-8-13(19)18-12-3-1-2-4-16-12/h1-6H,7-8H2,(H,16,18,19).
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide?
2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 328.22 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 75446518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).