(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide

C21H23N3O4S — CID 8941661

IUPAC(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)SC2=NCC(=O)N2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H23N3O4S/c1-13-5-8-16(9-6-13)24-19(25)12-22-21(24)29-14(2)20(26)23-15-7-10-17(27-3)18(11-15)28-4/h5-11,14H,12H2,1-4H3,(H,23,26)/t14-/m1/s1
InChIKeyVDAKNDIFHZABMO-CQSZACIVSA-N
MW413.50 g/mol
LogP3.48
Rot. Bonds6

About (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide

(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide (PubChem CID 8941661) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
PubChem CID8941661
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)SC2=NCC(=O)N2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H23N3O4S/c1-13-5-8-16(9-6-13)24-19(25)12-22-21(24)29-14(2)20(26)23-15-7-10-17(27-3)18(11-15)28-4/h5-11,14H,12H2,1-4H3,(H,23,26)/t14-/m1/s1
InChIKeyVDAKNDIFHZABMO-CQSZACIVSA-N
XLogP3.48
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]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

(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941693
(2S)-N-(4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941543
(2R)-N-(3-fluorophenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941554
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881984
(2S)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881985
(2R)-N-ethyl-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8638098
N'-[(2S)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 9059948
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941742
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881774
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 16538583
(2S)-N-(3,4-dimethoxyphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8554250

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide (CID 8941661) is (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide is COc1ccc(NC(=O)[C@@H](C)SC2=NCC(=O)N2c2ccc(C)cc2)cc1OC.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
The InChIKey is VDAKNDIFHZABMO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-13-5-8-16(9-6-13)24-19(25)12-22-21(24)29-14(2)20(26)23-15-7-10-17(27-3)18(11-15)28-4/h5-11,14H,12H2,1-4H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide?
(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide has a molecular weight of 413.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8941661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).