N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C16H18F3NO3S2 — CID 71796686

IUPACN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCOCCN(Cc1ccsc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO3S2/c1-23-8-7-20(10-14-6-9-24-11-14)25(21,22)12-13-2-4-15(5-3-13)16(17,18)19/h2-6,9,11H,7-8,10,12H2,1H3
InChIKeyYSVDUGKVAZUADE-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.75
Rot. Bonds8

About N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796686) has the molecular formula C16H18F3NO3S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796686
Molecular FormulaC16H18F3NO3S2
Molecular Weight393.45 g/mol
Exact Mass393.07
IUPAC NameN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCOCCN(Cc1ccsc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO3S2/c1-23-8-7-20(10-14-6-9-24-11-14)25(21,22)12-13-2-4-15(5-3-13)16(17,18)19/h2-6,9,11H,7-8,10,12H2,1H3
InChIKeyYSVDUGKVAZUADE-UHFFFAOYSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-1-phenyl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 75421892
4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid
CID 43528166
1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol
CID 24714891
4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
CID 103338521
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 63287056
N-(2-methoxyethyl)-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 74240165
1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121126866
1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
CID 162563157
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)propane-1-sulfonamide
CID 90582754

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796686) is N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is COCCN(Cc1ccsc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is YSVDUGKVAZUADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3S2/c1-23-8-7-20(10-14-6-9-24-11-14)25(21,22)12-13-2-4-15(5-3-13)16(17,18)19/h2-6,9,11H,7-8,10,12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 393.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).