3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide

C22H21NO6S — CID 55466705

IUPAC3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21NO6S/c1-2-23(13-16-8-9-19-20(12-16)29-15-28-19)22(24)21-17(10-11-27-21)14-30(25,26)18-6-4-3-5-7-18/h3-12H,2,13-15H2,1H3
InChIKeyFVLSNIKUKDGCMI-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.64
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide

3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide (PubChem CID 55466705) has the molecular formula C22H21NO6S and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide
PubChem CID55466705
Molecular FormulaC22H21NO6S
Molecular Weight427.48 g/mol
Exact Mass427.11
IUPAC Name3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21NO6S/c1-2-23(13-16-8-9-19-20(12-16)29-15-28-19)22(24)21-17(10-11-27-21)14-30(25,26)18-6-4-3-5-7-18/h3-12H,2,13-15H2,1H3
InChIKeyFVLSNIKUKDGCMI-UHFFFAOYSA-N
XLogP3.64
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 55466525
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide
CID 55371960
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 78801443
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55650103
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 51190042
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 55464922
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-4-ylsulfonylbenzamide
CID 55622631
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 63788319

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide (CID 55466705) is 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide?
The InChIKey is FVLSNIKUKDGCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6S/c1-2-23(13-16-8-9-19-20(12-16)29-15-28-19)22(24)21-17(10-11-27-21)14-30(25,26)18-6-4-3-5-7-18/h3-12H,2,13-15H2,1H3.
What are the key properties of 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide?
3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 55466705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).