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

C19H22N2O3S — CID 42814404

IUPACN-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCc1cccc(C2SC(C)C(=O)N2CCC(=O)NCc2ccco2)c1
InChIInChI=1S/C19H22N2O3S/c1-13-5-3-6-15(11-13)19-21(18(23)14(2)25-19)9-8-17(22)20-12-16-7-4-10-24-16/h3-7,10-11,14,19H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyHNTZTBUPXZWCBO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.26
Rot. Bonds6

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

N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide (PubChem CID 42814404) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
PubChem CID42814404
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCc1cccc(C2SC(C)C(=O)N2CCC(=O)NCc2ccco2)c1
InChIInChI=1S/C19H22N2O3S/c1-13-5-3-6-15(11-13)19-21(18(23)14(2)25-19)9-8-17(22)20-12-16-7-4-10-24-16/h3-7,10-11,14,19H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyHNTZTBUPXZWCBO-UHFFFAOYSA-N
XLogP3.26
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(furan-2-ylmethyl)propanamide
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N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
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N-(furan-2-ylmethyl)-3-hydroxypropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide (CID 42814404) is N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide is Cc1cccc(C2SC(C)C(=O)N2CCC(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The InChIKey is HNTZTBUPXZWCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-5-3-6-15(11-13)19-21(18(23)14(2)25-19)9-8-17(22)20-12-16-7-4-10-24-16/h3-7,10-11,14,19H,8-9,12H2,1-2H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide is sourced from PubChem (CID 42814404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).