N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C20H24N2O6S — CID 20944963

IUPACN-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)OCC(C(=O)N1CCCCC1)O2
InChIInChI=1S/C20H24N2O6S/c1-21(13-15-6-5-11-26-15)29(24,25)16-7-8-17-18(12-16)27-14-19(28-17)20(23)22-9-3-2-4-10-22/h5-8,11-12,19H,2-4,9-10,13-14H2,1H3
InChIKeyXFHADMHKGTXSJV-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.25
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 20944963) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID20944963
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)OCC(C(=O)N1CCCCC1)O2
InChIInChI=1S/C20H24N2O6S/c1-21(13-15-6-5-11-26-15)29(24,25)16-7-8-17-18(12-16)27-14-19(28-17)20(23)22-9-3-2-4-10-22/h5-8,11-12,19H,2-4,9-10,13-14H2,1H3
InChIKeyXFHADMHKGTXSJV-UHFFFAOYSA-N
XLogP2.25
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(4-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944918
N-(4-ethylphenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944928
ethyl 1-[[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonyl]piperidine-4-carboxylate
CID 20944929
(2S)-N-[(3-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 92707893
(2S)-2-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 92693176
N-(3,4-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944911
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
(2S)-2-(piperidine-1-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 92707889
N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945518
N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944984
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 20944963) is N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)OCC(C(=O)N1CCCCC1)O2.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is XFHADMHKGTXSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-21(13-15-6-5-11-26-15)29(24,25)16-7-8-17-18(12-16)27-14-19(28-17)20(23)22-9-3-2-4-10-22/h5-8,11-12,19H,2-4,9-10,13-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 420.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 20944963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).