2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide

C20H25N3O5S — CID 8520385

IUPAC2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)NCCOC
InChIInChI=1S/C20H25N3O5S/c1-4-22(5-2)29(26,27)17-10-9-16-19-14(17)7-6-8-15(19)20(25)23(16)13-18(24)21-11-12-28-3/h6-10H,4-5,11-13H2,1-3H3,(H,21,24)
InChIKeyBFUSNQVEUNAOFG-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.59
Rot. Bonds9

About 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide

2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 8520385) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID8520385
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)NCCOC
InChIInChI=1S/C20H25N3O5S/c1-4-22(5-2)29(26,27)17-10-9-16-19-14(17)7-6-8-15(19)20(25)23(16)13-18(24)21-11-12-28-3/h6-10H,4-5,11-13H2,1-3H3,(H,21,24)
InChIKeyBFUSNQVEUNAOFG-UHFFFAOYSA-N
XLogP1.59
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide
CID 8520374
2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide
CID 8520373
butyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
CID 8520403
N,N-diethyl-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)benzo[cd]indole-6-sulfonamide
CID 9193227
N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 7424828
3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide
CID 15944572
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
CID 118197350
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 108735916
N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 1244587
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
CID 118200169
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654880

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide (CID 8520385) is 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)NCCOC.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is BFUSNQVEUNAOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-4-22(5-2)29(26,27)17-10-9-16-19-14(17)7-6-8-15(19)20(25)23(16)13-18(24)21-11-12-28-3/h6-10H,4-5,11-13H2,1-3H3,(H,21,24).
What are the key properties of 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 419.50 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 8520385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).