1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide

C24H30F3N3O3S — CID 67875759

IUPAC1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)N(NS(=O)(=O)C(F)(F)F)CC2
InChIInChI=1S/C24H30F3N3O3S/c1-29(16-19-5-3-7-21-20(19)6-4-8-23(21)33-2)13-11-17-9-10-18-12-14-30(22(18)15-17)28-34(31,32)24(25,26)27/h4,6,8-10,15,19,28H,3,5,7,11-14,16H2,1-2H3
InChIKeyUTNYOZJJIXCINZ-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.01
Rot. Bonds8

About 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide

1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide (PubChem CID 67875759) has the molecular formula C24H30F3N3O3S and a molecular weight of 497.58 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide
PubChem CID67875759
Molecular FormulaC24H30F3N3O3S
Molecular Weight497.58 g/mol
Exact Mass497.20
IUPAC Name1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)N(NS(=O)(=O)C(F)(F)F)CC2
InChIInChI=1S/C24H30F3N3O3S/c1-29(16-19-5-3-7-21-20(19)6-4-8-23(21)33-2)13-11-17-9-10-18-12-14-30(22(18)15-17)28-34(31,32)24(25,26)27/h4,6,8-10,15,19,28H,3,5,7,11-14,16H2,1-2H3
InChIKeyUTNYOZJJIXCINZ-UHFFFAOYSA-N
XLogP4.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid
CID 19098496
2-(2,3-dihydro-1-benzothiophen-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine;methanesulfonic acid
CID 86747616
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393
4-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-2-nitroaniline
CID 10737841
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]chromen-4-one
CID 19098566
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-benzoxathiin-3-one
CID 19098488
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one
CID 19098585
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-1,4-benzothiazin-2-one
CID 19098406
2-isoquinolin-7-yl-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098384
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2H-isoquinolin-1-one
CID 19098446
N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 54244474
2-(1H-indazol-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 67699375

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide (CID 67875759) is 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)N(NS(=O)(=O)C(F)(F)F)CC2.
What is the InChIKey of 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide?
The InChIKey is UTNYOZJJIXCINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O3S/c1-29(16-19-5-3-7-21-20(19)6-4-8-23(21)33-2)13-11-17-9-10-18-12-14-30(22(18)15-17)28-34(31,32)24(25,26)27/h4,6,8-10,15,19,28H,3,5,7,11-14,16H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide?
1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide has a molecular weight of 497.58 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2,3-dihydroindol-1-yl]methanesulfonamide is sourced from PubChem (CID 67875759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).