4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide

C23H24N2O3S — CID 3267062

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-6-4-5-15-25(17)29(27,28)22-13-10-19(11-14-22)23(26)24-21-12-9-18-7-2-3-8-20(18)16-21/h2-3,7-14,16-17H,4-6,15H2,1H3,(H,24,26)
InChIKeyCNJAHCBFFLHCBU-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.66
Rot. Bonds4

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide (PubChem CID 3267062) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
PubChem CID3267062
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-6-4-5-15-25(17)29(27,28)22-13-10-19(11-14-22)23(26)24-21-12-9-18-7-2-3-8-20(18)16-21/h2-3,7-14,16-17H,4-6,15H2,1H3,(H,24,26)
InChIKeyCNJAHCBFFLHCBU-UHFFFAOYSA-N
XLogP4.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8701103
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55725981
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629
N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8780251
N-(1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40616224

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide (CID 3267062) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide?
The InChIKey is CNJAHCBFFLHCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-6-4-5-15-25(17)29(27,28)22-13-10-19(11-14-22)23(26)24-21-12-9-18-7-2-3-8-20(18)16-21/h2-3,7-14,16-17H,4-6,15H2,1H3,(H,24,26).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide has a molecular weight of 408.52 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 3267062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).