(R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide

C20H24F3NOS — CID 135006686

IUPAC(R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H24F3NOS/c1-19(2,3)26(25)24-18(14-9-15-7-5-4-6-8-15)16-10-12-17(13-11-16)20(21,22)23/h4-8,10-13,18,24H,9,14H2,1-3H3/t18-,26+/m0/s1
InChIKeyBVFSOMJEKSHAAZ-HFJWLAOPSA-N
MW383.48 g/mol
LogP5.43
Rot. Bonds6

About (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide (PubChem CID 135006686) has the molecular formula C20H24F3NOS and a molecular weight of 383.48 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide
PubChem CID135006686
Molecular FormulaC20H24F3NOS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Name(R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H24F3NOS/c1-19(2,3)26(25)24-18(14-9-15-7-5-4-6-8-15)16-10-12-17(13-11-16)20(21,22)23/h4-8,10-13,18,24H,9,14H2,1-3H3/t18-,26+/m0/s1
InChIKeyBVFSOMJEKSHAAZ-HFJWLAOPSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide (CID 135006686) is (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](CCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide?
The InChIKey is BVFSOMJEKSHAAZ-HFJWLAOPSA-N. The full InChI is InChI=1S/C20H24F3NOS/c1-19(2,3)26(25)24-18(14-9-15-7-5-4-6-8-15)16-10-12-17(13-11-16)20(21,22)23/h4-8,10-13,18,24H,9,14H2,1-3H3/t18-,26+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide has a molecular weight of 383.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide is sourced from PubChem (CID 135006686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).