4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide

C24H23N3O4S — CID 41363936

IUPAC4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N(C)C5CC5)cc4)ccc1c23
InChIInChI=1S/C24H23N3O4S/c1-3-27-21-14-13-20(18-5-4-6-19(22(18)21)24(27)29)25-23(28)15-7-11-17(12-8-15)32(30,31)26(2)16-9-10-16/h4-8,11-14,16H,3,9-10H2,1-2H3,(H,25,28)
InChIKeyALKMNOJRABIMAC-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.86
Rot. Bonds6

About 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide

4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (PubChem CID 41363936) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
PubChem CID41363936
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N(C)C5CC5)cc4)ccc1c23
InChIInChI=1S/C24H23N3O4S/c1-3-27-21-14-13-20(18-5-4-6-19(22(18)21)24(27)29)25-23(28)15-7-11-17(12-8-15)32(30,31)26(2)16-9-10-16/h4-8,11-14,16H,3,9-10H2,1-2H3,(H,25,28)
InChIKeyALKMNOJRABIMAC-UHFFFAOYSA-N
XLogP3.86
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[bis(2-methylpropyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4062998
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 42427896
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 41151522
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide
CID 127033770
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935221

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (CID 41363936) is 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.
What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is CCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N(C)C5CC5)cc4)ccc1c23.
What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The InChIKey is ALKMNOJRABIMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-27-21-14-13-20(18-5-4-6-19(22(18)21)24(27)29)25-23(28)15-7-11-17(12-8-15)32(30,31)26(2)16-9-10-16/h4-8,11-14,16H,3,9-10H2,1-2H3,(H,25,28).
What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is sourced from PubChem (CID 41363936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).