N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide

C25H23N3O5S — CID 51067303

IUPACN-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2C(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C25H23N3O5S/c1-31-21-10-9-17(14-22(21)32-2)23(29)27-25-28(11-13-34-25)16-18-6-3-4-8-20(18)24(30)26-15-19-7-5-12-33-19/h3-14H,15-16H2,1-2H3,(H,26,30)/b27-25+
InChIKeyFVAAJTQXOOFDLI-IMVLJIQESA-N
MW477.54 g/mol
LogP3.88
Rot. Bonds8

About N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide

N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide (PubChem CID 51067303) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide
PubChem CID51067303
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC NameN-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2C(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C25H23N3O5S/c1-31-21-10-9-17(14-22(21)32-2)23(29)27-25-28(11-13-34-25)16-18-6-3-4-8-20(18)24(30)26-15-19-7-5-12-33-19/h3-14H,15-16H2,1-2H3,(H,26,30)/b27-25+
InChIKeyFVAAJTQXOOFDLI-IMVLJIQESA-N
XLogP3.88
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
2-N-(furan-2-ylmethyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085151
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18208692
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322
4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 9081389
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28565056
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 9314148

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide (CID 51067303) is N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide is COc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2C(=O)NCc2ccco2)cc1OC.
What is the InChIKey of N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide?
The InChIKey is FVAAJTQXOOFDLI-IMVLJIQESA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-31-21-10-9-17(14-22(21)32-2)23(29)27-25-28(11-13-34-25)16-18-6-3-4-8-20(18)24(30)26-15-19-7-5-12-33-19/h3-14H,15-16H2,1-2H3,(H,26,30)/b27-25+.
What are the key properties of N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide?
N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide has a molecular weight of 477.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-3,4-dimethoxybenzamide is sourced from PubChem (CID 51067303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).