N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide

C23H22N2O4S — CID 41151522

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)CCS(=O)(=O)c4ccc(C)cc4)ccc1c23
InChIInChI=1S/C23H22N2O4S/c1-3-25-20-12-11-19(17-5-4-6-18(22(17)20)23(25)27)24-21(26)13-14-30(28,29)16-9-7-15(2)8-10-16/h4-12H,3,13-14H2,1-2H3,(H,24,26)
InChIKeyLVKZQMSTDUHHEQ-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.93
Rot. Bonds6

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 41151522) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID41151522
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)CCS(=O)(=O)c4ccc(C)cc4)ccc1c23
InChIInChI=1S/C23H22N2O4S/c1-3-25-20-12-11-19(17-5-4-6-18(22(17)20)23(25)27)24-21(26)13-14-30(28,29)16-9-7-15(2)8-10-16/h4-12H,3,13-14H2,1-2H3,(H,24,26)
InChIKeyLVKZQMSTDUHHEQ-UHFFFAOYSA-N
XLogP3.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323898
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea
CID 23996835
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
CID 3990187
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 6611008
N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide
CID 3289630
4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 1395662
4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 41363936
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139612
4-[bis(2-methylpropyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4062998

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 41151522) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide is CCN1C(=O)c2cccc3c(NC(=O)CCS(=O)(=O)c4ccc(C)cc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is LVKZQMSTDUHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-3-25-20-12-11-19(17-5-4-6-18(22(17)20)23(25)27)24-21(26)13-14-30(28,29)16-9-7-15(2)8-10-16/h4-12H,3,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 422.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 41151522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).