N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide

C20H20N2O6S — CID 90495710

IUPACN-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)N(CCc2cccs2)Cc2ccco2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C20H20N2O6S/c1-26-18-11-16(17(22(24)25)12-19(18)27-2)20(23)21(13-14-5-3-9-28-14)8-7-15-6-4-10-29-15/h3-6,9-12H,7-8,13H2,1-2H3
InChIKeySKLQNKIZBQUQMX-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.15
Rot. Bonds9

About N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide

N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 90495710) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID90495710
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC NameN-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)N(CCc2cccs2)Cc2ccco2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C20H20N2O6S/c1-26-18-11-16(17(22(24)25)12-19(18)27-2)20(23)21(13-14-5-3-9-28-14)8-7-15-6-4-10-29-15/h3-6,9-12H,7-8,13H2,1-2H3
InChIKeySKLQNKIZBQUQMX-UHFFFAOYSA-N
XLogP4.15
TPSA95.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495692
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714
N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 31836850
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7583235
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495815
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916
4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,2-oxazole-5-carboxamide
CID 71781319
N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
CID 34907145
4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 17438424
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide (CID 90495710) is N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide is COc1cc(C(=O)N(CCc2cccs2)Cc2ccco2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is SKLQNKIZBQUQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-26-18-11-16(17(22(24)25)12-19(18)27-2)20(23)21(13-14-5-3-9-28-14)8-7-15-6-4-10-29-15/h3-6,9-12H,7-8,13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide?
N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 416.46 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90495710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).