2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide

C15H20N2O6S — CID 162847225

IUPAC2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3OCC(N)=O)cc1
InChIInChI=1S/C15H20N2O6S/c1-9-2-4-10(5-3-9)24(19,20)17-11-6-22-15-12(7-23-14(11)15)21-8-13(16)18/h2-5,11-12,14-15,17H,6-8H2,1H3,(H2,16,18)/t11-,12-,14-,15+/m1/s1
InChIKeyMOQCSOJSEYUUCT-GBOPCIDUSA-N
MW356.40 g/mol
LogP-0.69
Rot. Bonds6

About 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide

2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide (PubChem CID 162847225) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
PubChem CID162847225
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3OCC(N)=O)cc1
InChIInChI=1S/C15H20N2O6S/c1-9-2-4-10(5-3-9)24(19,20)17-11-6-22-15-12(7-23-14(11)15)21-8-13(16)18/h2-5,11-12,14-15,17H,6-8H2,1H3,(H2,16,18)/t11-,12-,14-,15+/m1/s1
InChIKeyMOQCSOJSEYUUCT-GBOPCIDUSA-N
XLogP-0.69
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The IUPAC name of 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide (CID 162847225) is 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide.
What is the SMILES notation for 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The canonical SMILES for 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide is Cc1ccc(S(=O)(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3OCC(N)=O)cc1.
What is the InChIKey of 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The InChIKey is MOQCSOJSEYUUCT-GBOPCIDUSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-9-2-4-10(5-3-9)24(19,20)17-11-6-22-15-12(7-23-14(11)15)21-8-13(16)18/h2-5,11-12,14-15,17H,6-8H2,1H3,(H2,16,18)/t11-,12-,14-,15+/m1/s1.
What are the key properties of 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide has a molecular weight of 356.40 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide is sourced from PubChem (CID 162847225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).