N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide

C25H25N3O4S — CID 166950168

IUPACN-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc2c3c(cccc13)C(=O)N2Cc1ccccc1
InChIInChI=1S/C25H25N3O4S/c1-33(31,32)28-15-6-5-12-22(28)24(29)26-20-13-14-21-23-18(20)10-7-11-19(23)25(30)27(21)16-17-8-3-2-4-9-17/h2-4,7-11,13-14,22H,5-6,12,15-16H2,1H3,(H,26,29)
InChIKeyGBCDHZZZNLSLKL-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.75
Rot. Bonds5

About N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide

N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 166950168) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID166950168
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc2c3c(cccc13)C(=O)N2Cc1ccccc1
InChIInChI=1S/C25H25N3O4S/c1-33(31,32)28-15-6-5-12-22(28)24(29)26-20-13-14-21-23-18(20)10-7-11-19(23)25(30)27(21)16-17-8-3-2-4-9-17/h2-4,7-11,13-14,22H,5-6,12,15-16H2,1H3,(H,26,29)
InChIKeyGBCDHZZZNLSLKL-UHFFFAOYSA-N
XLogP3.75
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-oxo-6-[(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)amino]benzo[cd]indol-1-yl]propanoate
CID 166751342
1-(4-acetamidophenyl)sulfonyl-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-2-carboxamide
CID 166751071
1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-2-carboxamide
CID 166950164
1-(3,4-dimethoxyphenyl)sulfonyl-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-2-carboxamide
CID 163706330
N-[1-[2-(1H-indol-3-yl)ethyl]-2-oxobenzo[cd]indol-6-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 166751238
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935221
1-[(2-chloro-2,3-dihydrothiophen-5-yl)sulfonyl]-N-[1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide
CID 166751341
(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
CID 131914481
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide
CID 127033770
N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240591
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
1-(1-benzothiophen-3-ylsulfonyl)-N-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]piperidine-4-carboxamide
CID 166751261

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide (CID 166950168) is N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)Nc1ccc2c3c(cccc13)C(=O)N2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is GBCDHZZZNLSLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-33(31,32)28-15-6-5-12-22(28)24(29)26-20-13-14-21-23-18(20)10-7-11-19(23)25(30)27(21)16-17-8-3-2-4-9-17/h2-4,7-11,13-14,22H,5-6,12,15-16H2,1H3,(H,26,29).
What are the key properties of N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide?
N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 166950168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).