N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C19H22F3NO3S — CID 97428660

IUPACN-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC[C@@](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1
InChIInChI=1S/C19H22F3NO3S/c1-3-18(26-2,16-7-5-4-6-8-16)14-23-27(24,25)13-15-9-11-17(12-10-15)19(20,21)22/h4-12,23H,3,13-14H2,1-2H3/t18-/m0/s1
InChIKeyYDVDRGLGCWTOAL-SFHVURJKSA-N
MW401.45 g/mol
LogP4.08
Rot. Bonds8

About N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 97428660) has the molecular formula C19H22F3NO3S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID97428660
Molecular FormulaC19H22F3NO3S
Molecular Weight401.45 g/mol
Exact Mass401.13
IUPAC NameN-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC[C@@](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1
InChIInChI=1S/C19H22F3NO3S/c1-3-18(26-2,16-7-5-4-6-8-16)14-23-27(24,25)13-15-9-11-17(12-10-15)19(20,21)22/h4-12,23H,3,13-14H2,1-2H3/t18-/m0/s1
InChIKeyYDVDRGLGCWTOAL-SFHVURJKSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 97428660) is N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CC[C@@](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is YDVDRGLGCWTOAL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22F3NO3S/c1-3-18(26-2,16-7-5-4-6-8-16)14-23-27(24,25)13-15-9-11-17(12-10-15)19(20,21)22/h4-12,23H,3,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 401.45 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-phenylbutyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 97428660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).