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

C14H17ClN2O6S — CID 11883294

IUPAC2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
SMILESNC(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O6S/c15-8-1-3-9(4-2-8)24(19,20)17-10-5-22-14-11(6-23-13(10)14)21-7-12(16)18/h1-4,10-11,13-14,17H,5-7H2,(H2,16,18)/t10-,11+,13+,14+/m0/s1
InChIKeyZWQHHOWWZBFCJY-OIMNJJJWSA-N
MW376.82 g/mol
LogP-0.34
Rot. Bonds6

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

2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide (PubChem CID 11883294) has the molecular formula C14H17ClN2O6S and a molecular weight of 376.82 g/mol. Its IUPAC name is 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
PubChem CID11883294
Molecular FormulaC14H17ClN2O6S
Molecular Weight376.82 g/mol
Exact Mass376.05
IUPAC Name2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
SMILESNC(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O6S/c15-8-1-3-9(4-2-8)24(19,20)17-10-5-22-14-11(6-23-13(10)14)21-7-12(16)18/h1-4,10-11,13-14,17H,5-7H2,(H2,16,18)/t10-,11+,13+,14+/m0/s1
InChIKeyZWQHHOWWZBFCJY-OIMNJJJWSA-N
XLogP-0.34
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The IUPAC name of 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide (CID 11883294) is 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide.
What is the SMILES notation for 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The canonical SMILES for 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide is NC(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
The InChIKey is ZWQHHOWWZBFCJY-OIMNJJJWSA-N. The full InChI is InChI=1S/C14H17ClN2O6S/c15-8-1-3-9(4-2-8)24(19,20)17-10-5-22-14-11(6-23-13(10)14)21-7-12(16)18/h1-4,10-11,13-14,17H,5-7H2,(H2,16,18)/t10-,11+,13+,14+/m0/s1.
What are the key properties of 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide?
2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide has a molecular weight of 376.82 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide is sourced from PubChem (CID 11883294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).