N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide

C24H28F4N2O3S — CID 90401948

IUPACN-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide
SMILESCNC1Cc2cc(F)c(OCCN(C3CC3)S(C)(=O)=O)cc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H28F4N2O3S/c1-29-22-13-16-12-21(25)23(33-9-8-30(18-6-7-18)34(2,31)32)14-19(16)20(22)11-15-4-3-5-17(10-15)24(26,27)28/h3-5,10,12,14,18,20,22,29H,6-9,11,13H2,1-2H3
InChIKeyWDDUFSFFZRPZHP-UHFFFAOYSA-N
MW500.56 g/mol
LogP4.12
Rot. Bonds9

About N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide

N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide (PubChem CID 90401948) has the molecular formula C24H28F4N2O3S and a molecular weight of 500.56 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide
PubChem CID90401948
Molecular FormulaC24H28F4N2O3S
Molecular Weight500.56 g/mol
Exact Mass500.18
IUPAC NameN-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide
SMILESCNC1Cc2cc(F)c(OCCN(C3CC3)S(C)(=O)=O)cc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H28F4N2O3S/c1-29-22-13-16-12-21(25)23(33-9-8-30(18-6-7-18)34(2,31)32)14-19(16)20(22)11-15-4-3-5-17(10-15)24(26,27)28/h3-5,10,12,14,18,20,22,29H,6-9,11,13H2,1-2H3
InChIKeyWDDUFSFFZRPZHP-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[2-[[6-fluoro-2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide
CID 147277558
1-methyl-1-[2-[[2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]imidazol-1-ium-4-sulfonamide
CID 90401827
1-benzyl-5-fluoro-2-(methylamino)-6-[2-[1-(sulfinoamino)cyclobutyl]ethoxy]-2,3-dihydro-1H-indene
CID 90401899
N-[[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide
CID 66744560
N-[[(2S,3S)-3-benzyl-6-fluoro-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 56837077
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118088
N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 3309976
7-[3-(1-methylimidazol-4-yl)sulfonylpropoxy]-1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 159552131
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035
1-methyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]pyrazole-4-sulfonamide
CID 66745311
4-[3-[2-(azetidin-1-yl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]azetidin-1-yl]sulfonyl-1-methylpyrazole
CID 56837035
2-[[2-(azetidin-1-yl)-3-benzyl-6-fluoro-2,3-dihydro-1H-inden-5-yl]oxy]ethanamine
CID 90430087

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide (CID 90401948) is N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide is CNC1Cc2cc(F)c(OCCN(C3CC3)S(C)(=O)=O)cc2C1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide?
The InChIKey is WDDUFSFFZRPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N2O3S/c1-29-22-13-16-12-21(25)23(33-9-8-30(18-6-7-18)34(2,31)32)14-19(16)20(22)11-15-4-3-5-17(10-15)24(26,27)28/h3-5,10,12,14,18,20,22,29H,6-9,11,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide?
N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide has a molecular weight of 500.56 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[[6-fluoro-2-(methylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 90401948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).