2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C15H19FN2O4S — CID 133264844

IUPAC2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C15H19FN2O4S/c1-9-6-10(16)2-3-14(9)23(20,21)17-8-15(19)18-12-7-13-11(12)4-5-22-13/h2-3,6,11-13,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,12+,13+/m0/s1
InChIKeyDHYYOUAZYIBNPA-YNEHKIRRSA-N
MW342.39 g/mol
LogP0.71
Rot. Bonds5

About 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 133264844) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID133264844
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C15H19FN2O4S/c1-9-6-10(16)2-3-14(9)23(20,21)17-8-15(19)18-12-7-13-11(12)4-5-22-13/h2-3,6,11-13,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,12+,13+/m0/s1
InChIKeyDHYYOUAZYIBNPA-YNEHKIRRSA-N
XLogP0.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 133264844) is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is DHYYOUAZYIBNPA-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-9-6-10(16)2-3-14(9)23(20,21)17-8-15(19)18-12-7-13-11(12)4-5-22-13/h2-3,6,11-13,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,12+,13+/m0/s1.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 342.39 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 133264844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).