[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate

C25H26N2O8S — CID 73133145

IUPAC[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2COC3C(OC(=O)Nc4cccc5ccccc45)COC23)c1
InChIInChI=1S/C25H26N2O8S/c1-31-16-10-11-20(32-2)22(12-16)36(29,30)27-19-13-33-24-21(14-34-23(19)24)35-25(28)26-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,19,21,23-24,27H,13-14H2,1-2H3,(H,26,28)
InChIKeyRRDFMTAWCJZUNR-UHFFFAOYSA-N
MW514.56 g/mol
LogP2.92
Rot. Bonds7

About [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate

[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate (PubChem CID 73133145) has the molecular formula C25H26N2O8S and a molecular weight of 514.56 g/mol. Its IUPAC name is [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate
PubChem CID73133145
Molecular FormulaC25H26N2O8S
Molecular Weight514.56 g/mol
Exact Mass514.14
IUPAC Name[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2COC3C(OC(=O)Nc4cccc5ccccc45)COC23)c1
InChIInChI=1S/C25H26N2O8S/c1-31-16-10-11-20(32-2)22(12-16)36(29,30)27-19-13-33-24-21(14-34-23(19)24)35-25(28)26-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,19,21,23-24,27H,13-14H2,1-2H3,(H,26,28)
InChIKeyRRDFMTAWCJZUNR-UHFFFAOYSA-N
XLogP2.92
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate?
The IUPAC name of [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate (CID 73133145) is [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate is COc1ccc(OC)c(S(=O)(=O)NC2COC3C(OC(=O)Nc4cccc5ccccc45)COC23)c1.
What is the InChIKey of [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate?
The InChIKey is RRDFMTAWCJZUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O8S/c1-31-16-10-11-20(32-2)22(12-16)36(29,30)27-19-13-33-24-21(14-34-23(19)24)35-25(28)26-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,19,21,23-24,27H,13-14H2,1-2H3,(H,26,28).
What are the key properties of [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate?
[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate has a molecular weight of 514.56 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 73133145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).