propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate

C20H24N2O5S — CID 8520407

IUPACpropan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)OC(C)C
InChIInChI=1S/C20H24N2O5S/c1-5-21(6-2)28(25,26)17-11-10-16-19-14(17)8-7-9-15(19)20(24)22(16)12-18(23)27-13(3)4/h7-11,13H,5-6,12H2,1-4H3
InChIKeyKXGSNIDHEQRAOK-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.78
Rot. Bonds7

About propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate

propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate (PubChem CID 8520407) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
PubChem CID8520407
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namepropan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)OC(C)C
InChIInChI=1S/C20H24N2O5S/c1-5-21(6-2)28(25,26)17-11-10-16-19-14(17)8-7-9-15(19)20(24)22(16)12-18(23)27-13(3)4/h7-11,13H,5-6,12H2,1-4H3
InChIKeyKXGSNIDHEQRAOK-UHFFFAOYSA-N
XLogP2.78
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate (CID 8520407) is propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate is CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The InChIKey is KXGSNIDHEQRAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-5-21(6-2)28(25,26)17-11-10-16-19-14(17)8-7-9-15(19)20(24)22(16)12-18(23)27-13(3)4/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate has a molecular weight of 404.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate is sourced from PubChem (CID 8520407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).