tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate

C22H26N4O6S — CID 175357170

IUPACtert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate
SMILESCOc1ccc2c(=O)n(C)nc(-c3ccc(CN(C(=O)OC(C)(C)C)S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C22H26N4O6S/c1-22(2,3)32-21(28)26(33(23,29)30)13-14-6-8-15(9-7-14)19-18-12-16(31-5)10-11-17(18)20(27)25(4)24-19/h6-12H,13H2,1-5H3,(H2,23,29,30)
InChIKeyCQKYHMDAKCDBAZ-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.55
Rot. Bonds5

About tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate

tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate (PubChem CID 175357170) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate
PubChem CID175357170
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Nametert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate
SMILESCOc1ccc2c(=O)n(C)nc(-c3ccc(CN(C(=O)OC(C)(C)C)S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C22H26N4O6S/c1-22(2,3)32-21(28)26(33(23,29)30)13-14-6-8-15(9-7-14)19-18-12-16(31-5)10-11-17(18)20(27)25(4)24-19/h6-12H,13H2,1-5H3,(H2,23,29,30)
InChIKeyCQKYHMDAKCDBAZ-UHFFFAOYSA-N
XLogP2.55
TPSA133.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate with MolForge

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Related Compounds

tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 157040088
7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
CID 157040151
tert-butyl N-[[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]methylsulfamoyl]carbamate
CID 157040016
tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate
CID 175192711
tert-butyl N-[(4-chlorophenyl)methyl]-N-methylsulfonylcarbamate
CID 1484576
5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide
CID 162013950
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride
CID 157040020
tert-butyl N-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-N-methylsulfonylcarbamate
CID 66790182
tert-butyl N-[4-(bromomethyl)-6-methyl-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 135169140
tert-butyl N-[[4-(3-methoxy-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 175824331
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate?
The IUPAC name of tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate (CID 175357170) is tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate.
What is the SMILES notation for tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate?
The canonical SMILES for tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate is COc1ccc2c(=O)n(C)nc(-c3ccc(CN(C(=O)OC(C)(C)C)S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate?
The InChIKey is CQKYHMDAKCDBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-22(2,3)32-21(28)26(33(23,29)30)13-14-6-8-15(9-7-14)19-18-12-16(31-5)10-11-17(18)20(27)25(4)24-19/h6-12H,13H2,1-5H3,(H2,23,29,30).
What are the key properties of tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate?
tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate has a molecular weight of 474.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate is sourced from PubChem (CID 175357170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).