N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide

C18H17N3O2S — CID 609573

IUPACN-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C18H17N3O2S/c1-11-8-12(2)20-18(16(11)9-19)24-10-17(23)21-15-6-4-14(5-7-15)13(3)22/h4-8H,10H2,1-3H3,(H,21,23)
InChIKeyZBXTYZRDOVSMKP-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.50
Rot. Bonds5

About N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide

N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 609573) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID609573
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C18H17N3O2S/c1-11-8-12(2)20-18(16(11)9-19)24-10-17(23)21-15-6-4-14(5-7-15)13(3)22/h4-8H,10H2,1-3H3,(H,21,23)
InChIKeyZBXTYZRDOVSMKP-UHFFFAOYSA-N
XLogP3.50
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoic acid
CID 2393766
methyl 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
CID 1117459
N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
CID 23007666
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 31235022
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(3-iodophenyl)acetamide
CID 41432808
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2380584
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 690403
N-(4-acetylphenyl)-2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450283
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40552208
2-[2-[4-[4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]phenyl]phenyl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 3111095
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25045368
N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-4-methoxybenzamide
CID 41432856

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide (CID 609573) is N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is ZBXTYZRDOVSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-8-12(2)20-18(16(11)9-19)24-10-17(23)21-15-6-4-14(5-7-15)13(3)22/h4-8H,10H2,1-3H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 609573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).