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

C23H22N2O5S — CID 26532315

IUPACN-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H22N2O5S/c26-23(24-19-6-8-21-22(14-19)30-15-29-21)17-9-11-25(12-10-17)31(27,28)20-7-5-16-3-1-2-4-18(16)13-20/h1-8,13-14,17H,9-12,15H2,(H,24,26)
InChIKeyASIXLFJDDAYIPE-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.61
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 26532315) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID26532315
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H22N2O5S/c26-23(24-19-6-8-21-22(14-19)30-15-29-21)17-9-11-25(12-10-17)31(27,28)20-7-5-16-3-1-2-4-18(16)13-20/h1-8,13-14,17H,9-12,15H2,(H,24,26)
InChIKeyASIXLFJDDAYIPE-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 27151827
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 31289668
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide
CID 42125952
N-(1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26539576
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075592
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-phenylpiperidine-4-carboxamide
CID 4824119
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 26532315) is N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ASIXLFJDDAYIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c26-23(24-19-6-8-21-22(14-19)30-15-29-21)17-9-11-25(12-10-17)31(27,28)20-7-5-16-3-1-2-4-18(16)13-20/h1-8,13-14,17H,9-12,15H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26532315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).