(R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

C20H28F3N3O2S — CID 169155054

IUPAC(R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(C(C)(C)C(F)(F)F)n(C)c(=O)c2c1
InChIInChI=1S/C20H28F3N3O2S/c1-11-9-13(12(2)25-29(28)18(3,4)5)15-14(10-11)16(27)26(8)17(24-15)19(6,7)20(21,22)23/h9-10,12,25H,1-8H3/t12-,29-/m1/s1
InChIKeyPVXJJPXSIFIGAS-XETJZTBLSA-N
MW431.52 g/mol
LogP4.19
Rot. Bonds4

About (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169155054) has the molecular formula C20H28F3N3O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169155054
Molecular FormulaC20H28F3N3O2S
Molecular Weight431.52 g/mol
Exact Mass431.19
IUPAC Name(R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(C(C)(C)C(F)(F)F)n(C)c(=O)c2c1
InChIInChI=1S/C20H28F3N3O2S/c1-11-9-13(12(2)25-29(28)18(3,4)5)15-14(10-11)16(27)26(8)17(24-15)19(6,7)20(21,22)23/h9-10,12,25H,1-8H3/t12-,29-/m1/s1
InChIKeyPVXJJPXSIFIGAS-XETJZTBLSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 169155054) is (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is Cc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(C(C)(C)C(F)(F)F)n(C)c(=O)c2c1.
What is the InChIKey of (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is PVXJJPXSIFIGAS-XETJZTBLSA-N. The full InChI is InChI=1S/C20H28F3N3O2S/c1-11-9-13(12(2)25-29(28)18(3,4)5)15-14(10-11)16(27)26(8)17(24-15)19(6,7)20(21,22)23/h9-10,12,25H,1-8H3/t12-,29-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 431.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[3,6-dimethyl-4-oxo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169155054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).