2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide

C15H14Cl2N2OS — CID 848358

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)NCc1cccnc1
InChIInChI=1S/C15H14Cl2N2OS/c16-13-4-1-5-14(17)12(13)9-21-10-15(20)19-8-11-3-2-6-18-7-11/h1-7H,8-10H2,(H,19,20)
InChIKeyDNMQGCWATKNXSP-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.94
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 848358) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID848358
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)NCc1cccnc1
InChIInChI=1S/C15H14Cl2N2OS/c16-13-4-1-5-14(17)12(13)9-21-10-15(20)19-8-11-3-2-6-18-7-11/h1-7H,8-10H2,(H,19,20)
InChIKeyDNMQGCWATKNXSP-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731884
3-(3,4-Dichlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2732022
3-(3-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3293548
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954
2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 839135
2-[(2,6-dichlorobenzyl)sulfanyl]-N-(pyridin-3-yl)acetamide
CID 951606
2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 2971027
2-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 16250036
3-(2,6-dichlorophenyl)-N-(4-pyridinyl)acrylamide
CID 903240
3-(2,4-Dichlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731946
3-(2,4-Dichlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731953

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide (CID 848358) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CSCc1c(Cl)cccc1Cl)NCc1cccnc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DNMQGCWATKNXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c16-13-4-1-5-14(17)12(13)9-21-10-15(20)19-8-11-3-2-6-18-7-11/h1-7H,8-10H2,(H,19,20).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 341.26 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 848358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).