5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide

C23H28N4O6S — CID 19970523

IUPAC5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cn1
InChIInChI=1S/C23H28N4O6S/c1-33-14-13-24-23(30)20-12-7-17(15-25-20)22(29)27-34(31,32)19-10-8-18(9-11-19)26-21(28)16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,24,30)(H,26,28)(H,27,29)
InChIKeyWXHDWLJGSDYGOF-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.10
Rot. Bonds9

About 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide

5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide (PubChem CID 19970523) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide
PubChem CID19970523
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC Name5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cn1
InChIInChI=1S/C23H28N4O6S/c1-33-14-13-24-23(30)20-12-7-17(15-25-20)22(29)27-34(31,32)19-10-8-18(9-11-19)26-21(28)16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,24,30)(H,26,28)(H,27,29)
InChIKeyWXHDWLJGSDYGOF-UHFFFAOYSA-N
XLogP2.10
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970615
2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970699
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
2-N-(2-methoxyethyl)-5-N-[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970692
cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928175
[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70212189
2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928102
5-N-[4-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide
CID 19970568
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide (CID 19970523) is 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide is COCCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cn1.
What is the InChIKey of 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide?
The InChIKey is WXHDWLJGSDYGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-33-14-13-24-23(30)20-12-7-17(15-25-20)22(29)27-34(31,32)19-10-8-18(9-11-19)26-21(28)16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,24,30)(H,26,28)(H,27,29).
What are the key properties of 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide?
5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide has a molecular weight of 488.57 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).