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

C20H24N2O3S — CID 5145940

IUPAC4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C20H24N2O3S/c1-14(2)9-10-21-19(24)15-5-7-16(8-6-15)20-22(18(23)13-26-20)12-17-4-3-11-25-17/h3-8,11,14,20H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyWVQHOERGVOLNPH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.83
Rot. Bonds7

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

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide (PubChem CID 5145940) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide
PubChem CID5145940
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C20H24N2O3S/c1-14(2)9-10-21-19(24)15-5-7-16(8-6-15)20-22(18(23)13-26-20)12-17-4-3-11-25-17/h3-8,11,14,20H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyWVQHOERGVOLNPH-UHFFFAOYSA-N
XLogP3.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide (CID 5145940) is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide?
The InChIKey is WVQHOERGVOLNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(2)9-10-21-19(24)15-5-7-16(8-6-15)20-22(18(23)13-26-20)12-17-4-3-11-25-17/h3-8,11,14,20H,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide?
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 5145940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).