tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate

C26H28N4O6S — CID 66834149

IUPACtert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C26H28N4O6S/c1-25(2,3)36-24(32)30-37(33,34)28-10-11-35-16-7-9-17-19(13-16)26(4,5)23-21(22(17)31)18-8-6-15(14-27)12-20(18)29-23/h6-9,12-13,28-29H,10-11H2,1-5H3,(H,30,32)
InChIKeyYBNMKRDBFKKGOM-UHFFFAOYSA-N
MW524.60 g/mol
LogP3.65
Rot. Bonds6

About tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate

tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate (PubChem CID 66834149) has the molecular formula C26H28N4O6S and a molecular weight of 524.60 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate
PubChem CID66834149
Molecular FormulaC26H28N4O6S
Molecular Weight524.60 g/mol
Exact Mass524.17
IUPAC Nametert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C26H28N4O6S/c1-25(2,3)36-24(32)30-37(33,34)28-10-11-35-16-7-9-17-19(13-16)26(4,5)23-21(22(17)31)18-8-6-15(14-27)12-20(18)29-23/h6-9,12-13,28-29H,10-11H2,1-5H3,(H,30,32)
InChIKeyYBNMKRDBFKKGOM-UHFFFAOYSA-N
XLogP3.65
TPSA150.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate (CID 66834149) is tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate is CC(C)(C)OC(=O)NS(=O)(=O)NCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.
What is the InChIKey of tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate?
The InChIKey is YBNMKRDBFKKGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O6S/c1-25(2,3)36-24(32)30-37(33,34)28-10-11-35-16-7-9-17-19(13-16)26(4,5)23-21(22(17)31)18-8-6-15(14-27)12-20(18)29-23/h6-9,12-13,28-29H,10-11H2,1-5H3,(H,30,32).
What are the key properties of tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate?
tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate has a molecular weight of 524.60 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate is sourced from PubChem (CID 66834149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).