N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C16H18F3NO3S2 — CID 97417537

IUPACN-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCO[C@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(C)s1
InChIInChI=1S/C16H18F3NO3S2/c1-11-3-8-15(24-11)14(23-2)9-20-25(21,22)10-12-4-6-13(7-5-12)16(17,18)19/h3-8,14,20H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyFTHYDTGDSJODSH-CQSZACIVSA-N
MW393.45 g/mol
LogP3.88
Rot. Bonds7

About N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 97417537) has the molecular formula C16H18F3NO3S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID97417537
Molecular FormulaC16H18F3NO3S2
Molecular Weight393.45 g/mol
Exact Mass393.07
IUPAC NameN-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCO[C@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(C)s1
InChIInChI=1S/C16H18F3NO3S2/c1-11-3-8-15(24-11)14(23-2)9-20-25(21,22)10-12-4-6-13(7-5-12)16(17,18)19/h3-8,14,20H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyFTHYDTGDSJODSH-CQSZACIVSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90598463
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97417494
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033
N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 167065322
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide
CID 71810393
5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531
methyl 4-[[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 71810408
4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598487
[1-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299672

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 97417537) is N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CO[C@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(C)s1.
What is the InChIKey of N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is FTHYDTGDSJODSH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18F3NO3S2/c1-11-3-8-15(24-11)14(23-2)9-20-25(21,22)10-12-4-6-13(7-5-12)16(17,18)19/h3-8,14,20H,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 393.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 97417537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).