tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride

C50H63Br2ClN8O14S2 — CID 167573930

IUPACtert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride
SMILESCC(C)N(CCOc1ncc(Br)cc1N)C(=O)OC(C)(C)C.CC(C)N(CCOc1ncc(Br)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C.O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Cl
InChIInChI=1S/C25H31BrN4O7S.C15H24BrN3O3.C10H8ClNO4S/c1-16(2)29(24(33)37-25(3,4)5)10-12-36-21-20(14-17(26)15-27-21)28-38(34,35)13-11-30-22(31)18-8-6-7-9-19(18)23(30)32;1-10(2)19(14(20)22-15(3,4)5)6-7-21-13-12(17)8-11(16)9-18-13;11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h6-9,14-16,28H,10-13H2,1-5H3;8-10H,6-7,17H2,1-5H3;1-4H,5-6H2
InChIKeyGGTSEIDYUPLFED-UHFFFAOYSA-N
MW1259.49 g/mol
LogP8.21
Rot. Bonds18

About tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride

tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride (PubChem CID 167573930) has the molecular formula C50H63Br2ClN8O14S2 and a molecular weight of 1259.49 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride
PubChem CID167573930
Molecular FormulaC50H63Br2ClN8O14S2
Molecular Weight1259.49 g/mol
Exact Mass1256.20
IUPAC Nametert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride
SMILESCC(C)N(CCOc1ncc(Br)cc1N)C(=O)OC(C)(C)C.CC(C)N(CCOc1ncc(Br)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C.O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Cl
InChIInChI=1S/C25H31BrN4O7S.C15H24BrN3O3.C10H8ClNO4S/c1-16(2)29(24(33)37-25(3,4)5)10-12-36-21-20(14-17(26)15-27-21)28-38(34,35)13-11-30-22(31)18-8-6-7-9-19(18)23(30)32;1-10(2)19(14(20)22-15(3,4)5)6-7-21-13-12(17)8-11(16)9-18-13;11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h6-9,14-16,28H,10-13H2,1-5H3;8-10H,6-7,17H2,1-5H3;1-4H,5-6H2
InChIKeyGGTSEIDYUPLFED-UHFFFAOYSA-N
XLogP8.21
TPSA284.41 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.49
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride with MolForge

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Related Compounds

2-[[3-(2-aminoethylsulfonylamino)-5-bromo-2-pyridinyl]oxy]ethyl-propan-2-ylcarbamic acid
CID 170169903
tert-butyl N-[2-[(5-bromo-3-iodo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-(propan-2-ylsulfonylamino)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;methane;pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontayne;propane-2-sulfonamide
CID 167605831
N-[5-bromo-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide;tert-butyl N-[2-[[5-bromo-3-(methanesulfonamido)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;henhexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59-triacontayne;methane;octahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106-tripentacontayne
CID 167654192
5-bromo-3-iodo-1H-pyridin-2-one;tert-butyl N-[2-[(5-bromo-3-iodo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-(2-hydroxyethyl)-N-propan-2-ylcarbamate;methane
CID 167665368
5-bromo-2-chloro-3-nitropyridine;tert-butyl N-[2-[(5-bromo-3-nitro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-(2-hydroxyethyl)-N-propan-2-ylcarbamate
CID 165024775
5-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]ethoxy]benzoic acid
CID 175661863
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate
CID 130871466
(2S)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-methylbutanamide
CID 94189662
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 89282889
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
tert-butyl N-[2-[(5-bromo-2-pyridinyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245980
(2S)-3-[(3-amino-5-bromo-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 167472277

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride?
The IUPAC name of tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride (CID 167573930) is tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride.
What is the SMILES notation for tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride?
The canonical SMILES for tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride is CC(C)N(CCOc1ncc(Br)cc1N)C(=O)OC(C)(C)C.CC(C)N(CCOc1ncc(Br)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C.O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Cl.
What is the InChIKey of tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride?
The InChIKey is GGTSEIDYUPLFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31BrN4O7S.C15H24BrN3O3.C10H8ClNO4S/c1-16(2)29(24(33)37-25(3,4)5)10-12-36-21-20(14-17(26)15-27-21)28-38(34,35)13-11-30-22(31)18-8-6-7-9-19(18)23(30)32;1-10(2)19(14(20)22-15(3,4)5)6-7-21-13-12(17)8-11(16)9-18-13;11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h6-9,14-16,28H,10-13H2,1-5H3;8-10H,6-7,17H2,1-5H3;1-4H,5-6H2.
What are the key properties of tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride?
tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride has a molecular weight of 1259.49 g/mol, XLogP of 8.21, 18 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride is sourced from PubChem (CID 167573930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).