N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C25H24N2O6S — CID 31289668

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)OCO2
InChIInChI=1S/C25H24N2O6S/c1-16(28)21-13-23-24(33-15-32-23)14-22(21)26-25(29)18-8-10-27(11-9-18)34(30,31)20-7-6-17-4-2-3-5-19(17)12-20/h2-7,12-14,18H,8-11,15H2,1H3,(H,26,29)
InChIKeyBKFSEEFFRHKCCC-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.81
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 31289668) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID31289668
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)OCO2
InChIInChI=1S/C25H24N2O6S/c1-16(28)21-13-23-24(33-15-32-23)14-22(21)26-25(29)18-8-10-27(11-9-18)34(30,31)20-7-6-17-4-2-3-5-19(17)12-20/h2-7,12-14,18H,8-11,15H2,1H3,(H,26,29)
InChIKeyBKFSEEFFRHKCCC-UHFFFAOYSA-N
XLogP3.81
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26532315
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
N-(2-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067539
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1448342
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 31289668) is N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CC(=O)c1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is BKFSEEFFRHKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-16(28)21-13-23-24(33-15-32-23)14-22(21)26-25(29)18-8-10-27(11-9-18)34(30,31)20-7-6-17-4-2-3-5-19(17)12-20/h2-7,12-14,18H,8-11,15H2,1H3,(H,26,29).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 31289668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).