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

C19H22N2O4S — CID 6488404

IUPAC4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C19H22N2O4S/c1-24-10-3-9-20-18(23)14-5-7-15(8-6-14)19-21(17(22)13-26-19)12-16-4-2-11-25-16/h2,4-8,11,19H,3,9-10,12-13H2,1H3,(H,20,23)
InChIKeyBCIZETJKTTVNSM-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.82
Rot. Bonds8

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

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide (PubChem CID 6488404) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
PubChem CID6488404
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C19H22N2O4S/c1-24-10-3-9-20-18(23)14-5-7-15(8-6-14)19-21(17(22)13-26-19)12-16-4-2-11-25-16/h2,4-8,11,19H,3,9-10,12-13H2,1H3,(H,20,23)
InChIKeyBCIZETJKTTVNSM-UHFFFAOYSA-N
XLogP2.82
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
N-(2-Furylmethyl)benzamide
CID 236716
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
2-Furanmethanamine, 5,5'-(1,4-phenylenebis(methylenethiomethylene))bis(N,N-dimethyl-
CID 3071779
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
2-butyl-N-(furan-2-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2667282
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2974655
N~1~-{3-[(2-Furylmethyl)amino]-3-oxopropyl}-4-methylbenzamide
CID 2978176
5-{[(4-methylbenzyl)thio]methyl}-N-(3-methylbutyl)-2-furamide
CID 4207388
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207389

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide (CID 6488404) is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide is COCCCNC(=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-methoxypropyl)benzamide?
The InChIKey is BCIZETJKTTVNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-24-10-3-9-20-18(23)14-5-7-15(8-6-14)19-21(17(22)13-26-19)12-16-4-2-11-25-16/h2,4-8,11,19H,3,9-10,12-13H2,1H3,(H,20,23).
What are the key properties of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide?
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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-methoxypropyl)benzamide is sourced from PubChem (CID 6488404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).