3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide

C21H24N2O3S — CID 42815127

IUPAC3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
SMILESCOc1ccccc1C1SC(C)C(=O)N1CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-8-10-16(11-9-14)22-19(24)12-13-23-20(25)15(2)27-21(23)17-6-4-5-7-18(17)26-3/h4-11,15,21H,12-13H2,1-3H3,(H,22,24)
InChIKeyYLLNEIAYLMLQRV-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.99
Rot. Bonds6

About 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide

3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide (PubChem CID 42815127) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
PubChem CID42815127
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
SMILESCOc1ccccc1C1SC(C)C(=O)N1CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-8-10-16(11-9-14)22-19(24)12-13-23-20(25)15(2)27-21(23)17-6-4-5-7-18(17)26-3/h4-11,15,21H,12-13H2,1-3H3,(H,22,24)
InChIKeyYLLNEIAYLMLQRV-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 24715469
3-[(4S)-4-(2-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 93004908
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 100789389
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
CID 3272624
1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea
CID 42815417
2-[(4S)-3-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40775297
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea
CID 46137544
2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795940
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide (CID 42815127) is 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide is COc1ccccc1C1SC(C)C(=O)N1CCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is YLLNEIAYLMLQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-8-10-16(11-9-14)22-19(24)12-13-23-20(25)15(2)27-21(23)17-6-4-5-7-18(17)26-3/h4-11,15,21H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide?
3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 384.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 42815127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).