(R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide

C18H20F3NOS — CID 11485041

IUPAC(R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NOS/c1-17(2,3)24(23)22-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(19,20)21/h4-12,16,22H,1-3H3/t16-,24-/m1/s1
InChIKeyBGNUEDWJFJCETP-VOIUYBSRSA-N
MW355.43 g/mol
LogP4.85
Rot. Bonds4

About (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide

(R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide (PubChem CID 11485041) has the molecular formula C18H20F3NOS and a molecular weight of 355.43 g/mol. Its IUPAC name is (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide
PubChem CID11485041
Molecular FormulaC18H20F3NOS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name(R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NOS/c1-17(2,3)24(23)22-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(19,20)21/h4-12,16,22H,1-3H3/t16-,24-/m1/s1
InChIKeyBGNUEDWJFJCETP-VOIUYBSRSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.85
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-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide (CID 11485041) is (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide?
The InChIKey is BGNUEDWJFJCETP-VOIUYBSRSA-N. The full InChI is InChI=1S/C18H20F3NOS/c1-17(2,3)24(23)22-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(19,20)21/h4-12,16,22H,1-3H3/t16-,24-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide has a molecular weight of 355.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide is sourced from PubChem (CID 11485041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).