N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide

C18H18ClN3OS — CID 5299641

IUPACN-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N
InChIInChI=1S/C18H18ClN3OS/c1-10-5-6-14(19)7-16(10)22-17(23)9-24-18-15(8-20)12(3)11(2)13(4)21-18/h5-7H,9H2,1-4H3,(H,22,23)
InChIKeyIKXMQWJSRINLOH-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.57
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide

N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 5299641) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID5299641
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N
InChIInChI=1S/C18H18ClN3OS/c1-10-5-6-14(19)7-16(10)22-17(23)9-24-18-15(8-20)12(3)11(2)13(4)21-18/h5-7H,9H2,1-4H3,(H,22,23)
InChIKeyIKXMQWJSRINLOH-UHFFFAOYSA-N
XLogP4.57
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341253
N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
2-({2-[(4-Chlorobenzyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile
CID 1160042
2-[(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanyl]-N-phenylpropanamide
CID 3166940
2-({[(4-Chlorobenzyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile
CID 3245806
N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 162654769
N-tert-butyl-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamide
CID 713770
2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 714282
N-(4-Chlorophenyl)-2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamide
CID 1744296
2-[(3-Cyano-4,6-dimethylpyridin-2-YL)sulfanyl]-N-(2-cyanophenyl)acetamide
CID 712234
2-(3-cyano-4,6-dimethyl(2-pyridylthio))-N-(4-ethylphenyl)acetamide
CID 798324

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide (CID 5299641) is N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide is Cc1ccc(Cl)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is IKXMQWJSRINLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-10-5-6-14(19)7-16(10)22-17(23)9-24-18-15(8-20)12(3)11(2)13(4)21-18/h5-7H,9H2,1-4H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 359.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 5299641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).