(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide

C22H23N3O4S — CID 92881984

IUPAC(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C22H23N3O4S/c1-14-5-8-17(9-6-14)25-21(26)12-11-20(24-25)30-15(2)22(27)23-16-7-10-18(28-3)19(13-16)29-4/h5-13,15H,1-4H3,(H,23,27)/t15-/m1/s1
InChIKeyHYKIRRSEUVJPRW-OAHLLOKOSA-N
MW425.51 g/mol
LogP3.68
Rot. Bonds7

About (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide

(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide (PubChem CID 92881984) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
PubChem CID92881984
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C22H23N3O4S/c1-14-5-8-17(9-6-14)25-21(26)12-11-20(24-25)30-15(2)22(27)23-16-7-10-18(28-3)19(13-16)29-4/h5-13,15H,1-4H3,(H,23,27)/t15-/m1/s1
InChIKeyHYKIRRSEUVJPRW-OAHLLOKOSA-N
XLogP3.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide 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

(2S)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881985
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881774
(2R)-N-(3-acetylphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92882030
2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46383812
(2R)-N-(2,4-dimethylphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92882018
(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941661
(2R)-N-(3-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881812
(2S)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methoxyphenyl)propanamide
CID 92881875
(2R)-N-(2,5-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881820
N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 46383681
N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383831
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880949

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide (CID 92881984) is (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide is COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide?
The InChIKey is HYKIRRSEUVJPRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-14-5-8-17(9-6-14)25-21(26)12-11-20(24-25)30-15(2)22(27)23-16-7-10-18(28-3)19(13-16)29-4/h5-13,15H,1-4H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide?
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide has a molecular weight of 425.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide is sourced from PubChem (CID 92881984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).