2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide

C14H9Cl2N3OS — CID 17186421

IUPAC2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
SMILESN#Cc1cccnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3OS/c15-11-4-3-10(6-12(11)16)19-13(20)8-21-14-9(7-17)2-1-5-18-14/h1-6H,8H2,(H,19,20)
InChIKeyHODXICNDIGKBFP-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.99
Rot. Bonds4

About 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide

2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 17186421) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID17186421
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC Name2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
SMILESN#Cc1cccnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3OS/c15-11-4-3-10(6-12(11)16)19-13(20)8-21-14-9(7-17)2-1-5-18-14/h1-6H,8H2,(H,19,20)
InChIKeyHODXICNDIGKBFP-UHFFFAOYSA-N
XLogP3.99
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
CID 17186377
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 53364696
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 51319532
N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3518128
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 33227575
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 26368475
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 51319417
N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 25372320

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide (CID 17186421) is 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide is N#Cc1cccnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is HODXICNDIGKBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c15-11-4-3-10(6-12(11)16)19-13(20)8-21-14-9(7-17)2-1-5-18-14/h1-6H,8H2,(H,19,20).
What are the key properties of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 338.22 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 17186421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).