5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide

C17H18N4O6S — CID 19970615

IUPAC5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)cc1
InChIInChI=1S/C17H18N4O6S/c1-11(23)20-13-3-5-14(6-4-13)28(26,27)21-16(24)12-2-7-15(19-10-12)17(25)18-8-9-22/h2-7,10,22H,8-9H2,1H3,(H,18,25)(H,20,23)(H,21,24)
InChIKeyKCJJXEXPVAPKCZ-UHFFFAOYSA-N
MW406.42 g/mol
LogP-0.12
Rot. Bonds7

About 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide

5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide (PubChem CID 19970615) has the molecular formula C17H18N4O6S and a molecular weight of 406.42 g/mol. Its IUPAC name is 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
PubChem CID19970615
Molecular FormulaC17H18N4O6S
Molecular Weight406.42 g/mol
Exact Mass406.09
IUPAC Name5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)cc1
InChIInChI=1S/C17H18N4O6S/c1-11(23)20-13-3-5-14(6-4-13)28(26,27)21-16(24)12-2-7-15(19-10-12)17(25)18-8-9-22/h2-7,10,22H,8-9H2,1H3,(H,18,25)(H,20,23)(H,21,24)
InChIKeyKCJJXEXPVAPKCZ-UHFFFAOYSA-N
XLogP-0.12
TPSA154.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide
CID 19970593
5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide
CID 19970523
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970743
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide
CID 67866388
2-[[5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl acetate
CID 19970564
2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
CID 67866022
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide (CID 19970615) is 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide is CC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)cc1.
What is the InChIKey of 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide?
The InChIKey is KCJJXEXPVAPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O6S/c1-11(23)20-13-3-5-14(6-4-13)28(26,27)21-16(24)12-2-7-15(19-10-12)17(25)18-8-9-22/h2-7,10,22H,8-9H2,1H3,(H,18,25)(H,20,23)(H,21,24).
What are the key properties of 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide?
5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide has a molecular weight of 406.42 g/mol, XLogP of -0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).