N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

C22H19FN4O5S — CID 147462767

IUPACN-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCC1(C)OC(=O)n2c(-c3cnc(Nc4cccc(NS(C)(=O)=O)c4)o3)cc3cc(F)cc1c32
InChIInChI=1S/C22H19FN4O5S/c1-22(2)16-9-13(23)7-12-8-17(27(19(12)16)21(28)32-22)18-11-24-20(31-18)25-14-5-4-6-15(10-14)26-33(3,29)30/h4-11,26H,1-3H3,(H,24,25)
InChIKeyFAGANGHKUIFLNC-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.78
Rot. Bonds5

About N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 147462767) has the molecular formula C22H19FN4O5S and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
PubChem CID147462767
Molecular FormulaC22H19FN4O5S
Molecular Weight470.48 g/mol
Exact Mass470.11
IUPAC NameN-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCC1(C)OC(=O)n2c(-c3cnc(Nc4cccc(NS(C)(=O)=O)c4)o3)cc3cc(F)cc1c32
InChIInChI=1S/C22H19FN4O5S/c1-22(2)16-9-13(23)7-12-8-17(27(19(12)16)21(28)32-22)18-11-24-20(31-18)25-14-5-4-6-15(10-14)26-33(3,29)30/h4-11,26H,1-3H3,(H,24,25)
InChIKeyFAGANGHKUIFLNC-UHFFFAOYSA-N
XLogP4.78
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (CID 147462767) is N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is CC1(C)OC(=O)n2c(-c3cnc(Nc4cccc(NS(C)(=O)=O)c4)o3)cc3cc(F)cc1c32.
What is the InChIKey of N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is FAGANGHKUIFLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O5S/c1-22(2)16-9-13(23)7-12-8-17(27(19(12)16)21(28)32-22)18-11-24-20(31-18)25-14-5-4-6-15(10-14)26-33(3,29)30/h4-11,26H,1-3H3,(H,24,25).
What are the key properties of N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 470.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(6-fluoro-9,9-dimethyl-11-oxo-10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 147462767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).