2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide

C19H22N2O5S — CID 42814961

IUPAC2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(C2SCC(=O)N2C(C)C(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-12(18(23)20-10-14-5-4-8-26-14)21-17(22)11-27-19(21)13-6-7-15(24-2)16(9-13)25-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,23)
InChIKeyNFXVLXXFJZUQKD-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide

2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 42814961) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID42814961
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(C2SCC(=O)N2C(C)C(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-12(18(23)20-10-14-5-4-8-26-14)21-17(22)11-27-19(21)13-6-7-15(24-2)16(9-13)25-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,23)
InChIKeyNFXVLXXFJZUQKD-UHFFFAOYSA-N
XLogP2.58
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 42814889
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide
CID 42814985
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126415978
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42816187
2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]-N-(furan-2-ylmethyl)acetamide
CID 42812561
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
2-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 93143235
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
CID 42814953
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 132611212

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 42814961) is 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide is COc1ccc(C2SCC(=O)N2C(C)C(=O)NCc2ccco2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is NFXVLXXFJZUQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-12(18(23)20-10-14-5-4-8-26-14)21-17(22)11-27-19(21)13-6-7-15(24-2)16(9-13)25-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 390.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 42814961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).