N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

C19H21NO6S — CID 18888062

IUPACN-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCC(=O)NC1C(Sc2ccccc2)OC2COC(c3ccco3)OC2C1O
InChIInChI=1S/C19H21NO6S/c1-11(21)20-15-16(22)17-14(10-24-18(26-17)13-8-5-9-23-13)25-19(15)27-12-6-3-2-4-7-12/h2-9,14-19,22H,10H2,1H3,(H,20,21)
InChIKeyXKWMUHRTIXHFPJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (PubChem CID 18888062) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
PubChem CID18888062
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC NameN-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCC(=O)NC1C(Sc2ccccc2)OC2COC(c3ccco3)OC2C1O
InChIInChI=1S/C19H21NO6S/c1-11(21)20-15-16(22)17-14(10-24-18(26-17)13-8-5-9-23-13)25-19(15)27-12-6-3-2-4-7-12/h2-9,14-19,22H,10H2,1H3,(H,20,21)
InChIKeyXKWMUHRTIXHFPJ-UHFFFAOYSA-N
XLogP2.08
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide with MolForge

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Related Compounds

N-[(2S,4aR,6S,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11924200
N-[(2S,4aR,6S,7S,8S,8aR)-2-(furan-2-yl)-8-hydroxy-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 124897822
N-[(2S,4aR,6R,7R,8S,8aR)-2-(furan-2-yl)-8-hydroxy-6-(2-methoxyphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11887416
N-[(2S,4aS,6R,7S,8R,8aS)-6-(2-chlorophenoxy)-2-(furan-2-yl)-8-hydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 42228290
N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 4629810
N-[(2S,4aR,6S,7S,8S,8aR)-6-(4-acetylphenoxy)-2-(furan-2-yl)-8-hydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 124897863
N-[2-(furan-2-yl)-8-hydroxy-6-[2-[(E)-3-phenylprop-2-enoyl]phenoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 18888066
N-[(2R,4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6S)-5-acetamido-4-hydroxy-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-yl]oxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 10876627
N-[(2R,4aR,6S,7R,8R,8aS)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-yl]oxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 10919967
[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate
CID 11338605
[(4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate
CID 101342251
N-[(6R,7S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 45039740

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The IUPAC name of N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (CID 18888062) is N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is CC(=O)NC1C(Sc2ccccc2)OC2COC(c3ccco3)OC2C1O.
What is the InChIKey of N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The InChIKey is XKWMUHRTIXHFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-11(21)20-15-16(22)17-14(10-24-18(26-17)13-8-5-9-23-13)25-19(15)27-12-6-3-2-4-7-12/h2-9,14-19,22H,10H2,1H3,(H,20,21).
What are the key properties of N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is sourced from PubChem (CID 18888062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).