tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate

C23H32N2O7S — CID 11340591

IUPACtert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
SMILESCOc1ccc(CC(C)N(CCOc2ccccc2O)C(=O)OC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C23H32N2O7S/c1-16(14-17-10-11-20(30-5)21(15-17)33(24,28)29)25(22(27)32-23(2,3)4)12-13-31-19-9-7-6-8-18(19)26/h6-11,15-16,26H,12-14H2,1-5H3,(H2,24,28,29)
InChIKeyHNEJHTUWKQIMNH-UHFFFAOYSA-N
MW480.58 g/mol
LogP3.30
Rot. Bonds9

About tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate

tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate (PubChem CID 11340591) has the molecular formula C23H32N2O7S and a molecular weight of 480.58 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
PubChem CID11340591
Molecular FormulaC23H32N2O7S
Molecular Weight480.58 g/mol
Exact Mass480.19
IUPAC Nametert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
SMILESCOc1ccc(CC(C)N(CCOc2ccccc2O)C(=O)OC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C23H32N2O7S/c1-16(14-17-10-11-20(30-5)21(15-17)33(24,28)29)25(22(27)32-23(2,3)4)12-13-31-19-9-7-6-8-18(19)26/h6-11,15-16,26H,12-14H2,1-5H3,(H2,24,28,29)
InChIKeyHNEJHTUWKQIMNH-UHFFFAOYSA-N
XLogP3.30
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate with MolForge

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Related Compounds

5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 69116507
5-[2-[2-(2-ethoxyphenoxy)ethyl-nitrosoamino]propyl]-2-methoxybenzenesulfonamide
CID 170458080
2-(2-ethoxyphenoxy)ethyl-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]azanium
CID 36688118
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
tert-butyl N-[1-[4-(2-aminoethoxy)-3-methoxyphenyl]propan-2-yl]-N-methylcarbamate
CID 134426854
CID 87816441
CID 87816441
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydron;chloride
CID 74393239
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599
tert-butyl 4-[[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl-propylamino]methyl]piperidine-1-carboxylate;hydrochloride
CID 18352898
5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate (CID 11340591) is tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate is COc1ccc(CC(C)N(CCOc2ccccc2O)C(=O)OC(C)(C)C)cc1S(N)(=O)=O.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate?
The InChIKey is HNEJHTUWKQIMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O7S/c1-16(14-17-10-11-20(30-5)21(15-17)33(24,28)29)25(22(27)32-23(2,3)4)12-13-31-19-9-7-6-8-18(19)26/h6-11,15-16,26H,12-14H2,1-5H3,(H2,24,28,29).
What are the key properties of tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate?
tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate has a molecular weight of 480.58 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxyphenoxy)ethyl]-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 11340591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).