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

C18H24N2O3S — CID 42814559

IUPACN-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide
SMILESCOc1ccc(C2SC(C)C(=O)N2CCN(C)C(=O)C2CC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-12-16(21)20(11-10-19(2)17(22)13-4-5-13)18(24-12)14-6-8-15(23-3)9-7-14/h6-9,12-13,18H,4-5,10-11H2,1-3H3
InChIKeyRLBXLSHFKDXHKX-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.53
Rot. Bonds6

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

N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide (PubChem CID 42814559) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide
PubChem CID42814559
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide
SMILESCOc1ccc(C2SC(C)C(=O)N2CCN(C)C(=O)C2CC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-12-16(21)20(11-10-19(2)17(22)13-4-5-13)18(24-12)14-6-8-15(23-3)9-7-14/h6-9,12-13,18H,4-5,10-11H2,1-3H3
InChIKeyRLBXLSHFKDXHKX-UHFFFAOYSA-N
XLogP2.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
CID 5031264
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814458
N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42814560
2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814135
3-tert-butyl-1-[2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea
CID 42814570
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362478
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-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]benzoate
CID 4689601
N-[2-[2-(4-tert-butylphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-chloro-N-ethylbenzamide
CID 71956549
5-bromo-2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 10574222

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide (CID 42814559) is N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide is COc1ccc(C2SC(C)C(=O)N2CCN(C)C(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is RLBXLSHFKDXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12-16(21)20(11-10-19(2)17(22)13-4-5-13)18(24-12)14-6-8-15(23-3)9-7-14/h6-9,12-13,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide?
N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 42814559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).