2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide

C20H23N3OS — CID 23886616

IUPAC2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)Sc2nc(C(C)C)ccc2C#N)c1C
InChIInChI=1S/C20H23N3OS/c1-12(2)17-10-9-16(11-21)20(23-17)25-15(5)19(24)22-18-8-6-7-13(3)14(18)4/h6-10,12,15H,1-5H3,(H,22,24)
InChIKeyWJSVVFZJPSGSMD-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.81
Rot. Bonds5

About 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide

2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 23886616) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
PubChem CID23886616
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)Sc2nc(C(C)C)ccc2C#N)c1C
InChIInChI=1S/C20H23N3OS/c1-12(2)17-10-9-16(11-21)20(23-17)25-15(5)19(24)22-18-8-6-7-13(3)14(18)4/h6-10,12,15H,1-5H3,(H,22,24)
InChIKeyWJSVVFZJPSGSMD-UHFFFAOYSA-N
XLogP4.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide 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

2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
CID 23998374
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23801754
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23914746
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23942669
N-(2-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434437
2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55423113
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 46624921
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23772536
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)butanamide
CID 23914488
S-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] carbamothioate
CID 23765487
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
CID 42270862
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 8940644

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide (CID 23886616) is 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)C(C)Sc2nc(C(C)C)ccc2C#N)c1C.
What is the InChIKey of 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is WJSVVFZJPSGSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-12(2)17-10-9-16(11-21)20(23-17)25-15(5)19(24)22-18-8-6-7-13(3)14(18)4/h6-10,12,15H,1-5H3,(H,22,24).
What are the key properties of 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide?
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 353.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 23886616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).