3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

C21H21NO6S — CID 33114149

IUPAC3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21NO6S/c1-26-17-8-9-19(27-2)16(12-17)13-22-21(23)20-15(10-11-28-20)14-29(24,25)18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyYALLMXUCSWMIMC-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.20
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 33114149) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID33114149
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC Name3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21NO6S/c1-26-17-8-9-19(27-2)16(12-17)13-22-21(23)20-15(10-11-28-20)14-29(24,25)18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyYALLMXUCSWMIMC-UHFFFAOYSA-N
XLogP3.20
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51283662
4-[[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 75431889
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124497
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 46665187
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466131
N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 92844931
3-(benzenesulfonylmethyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55466072
3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 56552534
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 30908299
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 33107845

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (CID 33114149) is 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(OC)c(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is YALLMXUCSWMIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-26-17-8-9-19(27-2)16(12-17)13-22-21(23)20-15(10-11-28-20)14-29(24,25)18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H,22,23).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 33114149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).