N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide

C17H17F3N2O3S2 — CID 31843189

IUPACN-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCCc2cc(C(F)(F)F)ccc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H17F3N2O3S2/c1-21(27(24,25)16-5-3-9-26-16)11-15(23)22-8-2-4-12-10-13(17(18,19)20)6-7-14(12)22/h3,5-7,9-10H,2,4,8,11H2,1H3
InChIKeyAARGRAVDEOOUGB-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.37
Rot. Bonds4

About N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 31843189) has the molecular formula C17H17F3N2O3S2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID31843189
Molecular FormulaC17H17F3N2O3S2
Molecular Weight418.46 g/mol
Exact Mass418.06
IUPAC NameN-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCCc2cc(C(F)(F)F)ccc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H17F3N2O3S2/c1-21(27(24,25)16-5-3-9-26-16)11-15(23)22-8-2-4-12-10-13(17(18,19)20)6-7-14(12)22/h3,5-7,9-10H,2,4,8,11H2,1H3
InChIKeyAARGRAVDEOOUGB-UHFFFAOYSA-N
XLogP3.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55747131
N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 27809860
N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55589821
N-methoxy-N-methyl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31843707
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 66260767
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55586201
N-[2-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 16560718
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide (CID 31843189) is N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide is CN(CC(=O)N1CCCc2cc(C(F)(F)F)ccc21)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is AARGRAVDEOOUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S2/c1-21(27(24,25)16-5-3-9-26-16)11-15(23)22-8-2-4-12-10-13(17(18,19)20)6-7-14(12)22/h3,5-7,9-10H,2,4,8,11H2,1H3.
What are the key properties of N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 418.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 31843189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).