N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide

C20H30N2O3S — CID 42815296

IUPACN-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccccc1C1SC(C)C(=O)N1CCN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C20H30N2O3S/c1-13(2)18(23)21(14(3)4)11-12-22-19(24)15(5)26-20(22)16-9-7-8-10-17(16)25-6/h7-10,13-15,20H,11-12H2,1-6H3
InChIKeySGIDSCRRQISQFL-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.55
Rot. Bonds7

About N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide

N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 42815296) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID42815296
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccccc1C1SC(C)C(=O)N1CCN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C20H30N2O3S/c1-13(2)18(23)21(14(3)4)11-12-22-19(24)15(5)26-20(22)16-9-7-8-10-17(16)25-6/h7-10,13-15,20H,11-12H2,1-6H3
InChIKeySGIDSCRRQISQFL-UHFFFAOYSA-N
XLogP3.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
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
N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide
CID 42815317
3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
CID 42815127
1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea
CID 42815417
N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide
CID 42814732
3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea
CID 46137544
3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 3132696
N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide
CID 42815388
4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42814776
N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870331
(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1377930
2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42815159

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide (CID 42815296) is N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide is COc1ccccc1C1SC(C)C(=O)N1CCN(C(=O)C(C)C)C(C)C.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is SGIDSCRRQISQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-13(2)18(23)21(14(3)4)11-12-22-19(24)15(5)26-20(22)16-9-7-8-10-17(16)25-6/h7-10,13-15,20H,11-12H2,1-6H3.
What are the key properties of N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide?
N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 378.54 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 42815296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).