N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide

C24H24N2O4S — CID 41139612

IUPACN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCCCCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)ccc1c23
InChIInChI=1S/C24H24N2O4S/c1-3-4-14-26-21-13-12-20(18-6-5-7-19(23(18)21)24(26)28)25-22(27)15-16-8-10-17(11-9-16)31(2,29)30/h5-13H,3-4,14-15H2,1-2H3,(H,25,27)
InChIKeyBGSNECYQAFAZOL-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.18
Rot. Bonds7

About N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide

N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 41139612) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID41139612
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCCCCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)ccc1c23
InChIInChI=1S/C24H24N2O4S/c1-3-4-14-26-21-13-12-20(18-6-5-7-19(23(18)21)24(26)28)25-22(27)15-16-8-10-17(11-9-16)31(2,29)30/h5-13H,3-4,14-15H2,1-2H3,(H,25,27)
InChIKeyBGSNECYQAFAZOL-UHFFFAOYSA-N
XLogP4.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-butyl-2-oxobenzo[cd]indol-6-yl)-2,6-difluorobenzamide
CID 7136429
2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 121040722
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 23911990
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide
CID 23822606
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 41151522
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863418
2-butyl-6-methylsulfonylbenzo[de]isoquinoline-1,3-dione
CID 154730932
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-methylsulfonylbenzenesulfonamide
CID 134164682
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
CID 3990187
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 N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide (CID 41139612) is N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide is CCCCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)ccc1c23.
What is the InChIKey of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is BGSNECYQAFAZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-3-4-14-26-21-13-12-20(18-6-5-7-19(23(18)21)24(26)28)25-22(27)15-16-8-10-17(11-9-16)31(2,29)30/h5-13H,3-4,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide?
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 436.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 41139612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).