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

C21H26N2O4S — CID 3157053

IUPAC4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(2)26-12-4-10-22-20(25)16-6-8-17(9-7-16)21-23(19(24)14-28-21)13-18-5-3-11-27-18/h3,5-9,11,15,21H,4,10,12-14H2,1-2H3,(H,22,25)
InChIKeySQSIQSMFTVZXCW-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.60
Rot. Bonds9

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

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 3157053) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID3157053
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(2)26-12-4-10-22-20(25)16-6-8-17(9-7-16)21-23(19(24)14-28-21)13-18-5-3-11-27-18/h3,5-9,11,15,21H,4,10,12-14H2,1-2H3,(H,22,25)
InChIKeySQSIQSMFTVZXCW-UHFFFAOYSA-N
XLogP3.60
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.60
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-Furanylmethyl)-4-methylbenzamide
CID 674887
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
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
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
Terephthalamide, N,N'-difurfuryl-
CID 272218
N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 664218
N-(2-(5-methyl-2-furyl)-1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}vinyl)benzamide
CID 5736651

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide (CID 3157053) is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=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-propan-2-yloxypropyl)benzamide?
The InChIKey is SQSIQSMFTVZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15(2)26-12-4-10-22-20(25)16-6-8-17(9-7-16)21-23(19(24)14-28-21)13-18-5-3-11-27-18/h3,5-9,11,15,21H,4,10,12-14H2,1-2H3,(H,22,25).
What are the key properties of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide?
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.60, 9 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-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 3157053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).