(R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide

C26H30F3NOS — CID 134843066

IUPAC(R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide
SMILESC[C@H](c1cccc2ccccc12)N(CCCc1cccc(C(F)(F)F)c1)[S@](=O)C(C)(C)C
InChIInChI=1S/C26H30F3NOS/c1-19(23-16-8-13-21-12-5-6-15-24(21)23)30(32(31)25(2,3)4)17-9-11-20-10-7-14-22(18-20)26(27,28)29/h5-8,10,12-16,18-19H,9,11,17H2,1-4H3/t19-,32-/m1/s1
InChIKeyCYJWHSUBCRLTDX-AYLZSAKASA-N
MW461.59 g/mol
LogP7.32
Rot. Bonds7

About (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide (PubChem CID 134843066) has the molecular formula C26H30F3NOS and a molecular weight of 461.59 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide
PubChem CID134843066
Molecular FormulaC26H30F3NOS
Molecular Weight461.59 g/mol
Exact Mass461.20
IUPAC Name(R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide
SMILESC[C@H](c1cccc2ccccc12)N(CCCc1cccc(C(F)(F)F)c1)[S@](=O)C(C)(C)C
InChIInChI=1S/C26H30F3NOS/c1-19(23-16-8-13-21-12-5-6-15-24(21)23)30(32(31)25(2,3)4)17-9-11-20-10-7-14-22(18-20)26(27,28)29/h5-8,10,12-16,18-19H,9,11,17H2,1-4H3/t19-,32-/m1/s1
InChIKeyCYJWHSUBCRLTDX-AYLZSAKASA-N
XLogP7.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide (CID 134843066) is (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide is C[C@H](c1cccc2ccccc12)N(CCCc1cccc(C(F)(F)F)c1)[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide?
The InChIKey is CYJWHSUBCRLTDX-AYLZSAKASA-N. The full InChI is InChI=1S/C26H30F3NOS/c1-19(23-16-8-13-21-12-5-6-15-24(21)23)30(32(31)25(2,3)4)17-9-11-20-10-7-14-22(18-20)26(27,28)29/h5-8,10,12-16,18-19H,9,11,17H2,1-4H3/t19-,32-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide has a molecular weight of 461.59 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide is sourced from PubChem (CID 134843066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).