N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C24H26N2O3S — CID 26795871

IUPACN-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H26N2O3S/c1-2-18-6-5-9-22(16-18)25-24(27)20-12-14-26(15-13-20)30(28,29)23-11-10-19-7-3-4-8-21(19)17-23/h3-11,16-17,20H,2,12-15H2,1H3,(H,25,27)
InChIKeyOJSUTJBJQHNZOW-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.44
Rot. Bonds5

About N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 26795871) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID26795871
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H26N2O3S/c1-2-18-6-5-9-22(16-18)25-24(27)20-12-14-26(15-13-20)30(28,29)23-11-10-19-7-3-4-8-21(19)17-23/h3-11,16-17,20H,2,12-15H2,1H3,(H,25,27)
InChIKeyOJSUTJBJQHNZOW-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26736509
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
N-(3-ethylphenyl)-1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 95068631
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26532315
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 26795871) is N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OJSUTJBJQHNZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-2-18-6-5-9-22(16-18)25-24(27)20-12-14-26(15-13-20)30(28,29)23-11-10-19-7-3-4-8-21(19)17-23/h3-11,16-17,20H,2,12-15H2,1H3,(H,25,27).
What are the key properties of N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26795871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).