N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide

C25H28N4O3S — CID 30844895

IUPACN-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)c3ccc(C)cc3)nn2)CC1
InChIInChI=1S/C25H28N4O3S/c1-3-19-6-4-5-7-22(19)26-25(30)20-14-16-29(17-15-20)23-12-13-24(28-27-23)33(31,32)21-10-8-18(2)9-11-21/h4-13,20H,3,14-17H2,1-2H3,(H,26,30)
InChIKeyATLHTDRZGSBUIS-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.04
Rot. Bonds6

About N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide

N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30844895) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30844895
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)c3ccc(C)cc3)nn2)CC1
InChIInChI=1S/C25H28N4O3S/c1-3-19-6-4-5-7-22(19)26-25(30)20-14-16-29(17-15-20)23-12-13-24(28-27-23)33(31,32)21-10-8-18(2)9-11-21/h4-13,20H,3,14-17H2,1-2H3,(H,26,30)
InChIKeyATLHTDRZGSBUIS-UHFFFAOYSA-N
XLogP4.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514089
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
CID 53043464
N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046
1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 121118852
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
N-(2-ethylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600331
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781388
N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide (CID 30844895) is N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)c3ccc(C)cc3)nn2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is ATLHTDRZGSBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-3-19-6-4-5-7-22(19)26-25(30)20-14-16-29(17-15-20)23-12-13-24(28-27-23)33(31,32)21-10-8-18(2)9-11-21/h4-13,20H,3,14-17H2,1-2H3,(H,26,30).
What are the key properties of N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide?
N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30844895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).