6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole

C18H28BrN3O3S — CID 166910904

IUPAC6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
SMILESCN(C)S(=O)(=O)NCCc1cn(CCOC(C)(C)C)c2cc(Br)ccc12
InChIInChI=1S/C18H28BrN3O3S/c1-18(2,3)25-11-10-22-13-14(8-9-20-26(23,24)21(4)5)16-7-6-15(19)12-17(16)22/h6-7,12-13,20H,8-11H2,1-5H3
InChIKeyWYHCZYTYNKBYQM-UHFFFAOYSA-N
MW446.41 g/mol
LogP3.16
Rot. Bonds8

About 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole

6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole (PubChem CID 166910904) has the molecular formula C18H28BrN3O3S and a molecular weight of 446.41 g/mol. Its IUPAC name is 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole.

Molecular Properties

Compound Name6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
PubChem CID166910904
Molecular FormulaC18H28BrN3O3S
Molecular Weight446.41 g/mol
Exact Mass445.10
IUPAC Name6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
SMILESCN(C)S(=O)(=O)NCCc1cn(CCOC(C)(C)C)c2cc(Br)ccc12
InChIInChI=1S/C18H28BrN3O3S/c1-18(2,3)25-11-10-22-13-14(8-9-20-26(23,24)21(4)5)16-7-6-15(19)12-17(16)22/h6-7,12-13,20H,8-11H2,1-5H3
InChIKeyWYHCZYTYNKBYQM-UHFFFAOYSA-N
XLogP3.16
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2,2,2-trifluoroethyl)indole
CID 166911695
2-[6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]indol-1-yl]-N,N-dimethylacetamide
CID 166912138
6-bromo-1-butan-2-yl-3-[2-(dimethylsulfamoylamino)ethyl]indole
CID 166910922
6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole
CID 166910693
3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
CID 169304906
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole
CID 166912114
3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole
CID 166911189
3-[2-(dimethylsulfamoylamino)ethyl]-5,6-dimethyl-1-(2-methylpropyl)indole
CID 166911574
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole
CID 166911075
tert-butyl N-[2-[6-bromo-1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]ethyl]-N-(dimethylsulfamoyl)carbamate
CID 169304517
methyl 2-[6-bromo-3-[2-(dimethylaminosulfanylamino)ethyl]indol-1-yl]acetate
CID 166912125
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
CID 112591716

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole?
The IUPAC name of 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole (CID 166910904) is 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole.
What is the SMILES notation for 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole?
The canonical SMILES for 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole is CN(C)S(=O)(=O)NCCc1cn(CCOC(C)(C)C)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole?
The InChIKey is WYHCZYTYNKBYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3O3S/c1-18(2,3)25-11-10-22-13-14(8-9-20-26(23,24)21(4)5)16-7-6-15(19)12-17(16)22/h6-7,12-13,20H,8-11H2,1-5H3.
What are the key properties of 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole?
6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole has a molecular weight of 446.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(dimethylsulfamoylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole is sourced from PubChem (CID 166910904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).