N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C16H19F3N2O3S — CID 71796438

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCN(C)C(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C16H19F3N2O3S/c1-21(2)14(15-4-3-9-24-15)10-20-25(22,23)11-12-5-7-13(8-6-12)16(17,18)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyKHFCFOKQLOFPEF-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796438) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796438
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCN(C)C(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C16H19F3N2O3S/c1-21(2)14(15-4-3-9-24-15)10-20-25(22,23)11-12-5-7-13(8-6-12)16(17,18)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyKHFCFOKQLOFPEF-UHFFFAOYSA-N
XLogP3.02
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]methanesulfonamide
CID 93157738
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121133584
N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 167065322
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 51969104
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-sulfonamide
CID 47149015
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 4803620
N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71798515
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 51943762
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796438) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CN(C)C(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is KHFCFOKQLOFPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-21(2)14(15-4-3-9-24-15)10-20-25(22,23)11-12-5-7-13(8-6-12)16(17,18)19/h3-9,14,20H,10-11H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 376.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).