5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide

C22H28N4O6S — CID 19970700

IUPAC5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
SMILESCCCCCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1
InChIInChI=1S/C22H28N4O6S/c1-2-3-4-5-11-23-20(28)16-7-6-8-18(14-16)33(31,32)26-21(29)17-9-10-19(25-15-17)22(30)24-12-13-27/h6-10,14-15,27H,2-5,11-13H2,1H3,(H,23,28)(H,24,30)(H,26,29)
InChIKeyJCQVWYXTXFNQOT-UHFFFAOYSA-N
MW476.56 g/mol
LogP1.23
Rot. Bonds12

About 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide

5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide (PubChem CID 19970700) has the molecular formula C22H28N4O6S and a molecular weight of 476.56 g/mol. Its IUPAC name is 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
PubChem CID19970700
Molecular FormulaC22H28N4O6S
Molecular Weight476.56 g/mol
Exact Mass476.17
IUPAC Name5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
SMILESCCCCCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1
InChIInChI=1S/C22H28N4O6S/c1-2-3-4-5-11-23-20(28)16-7-6-8-18(14-16)33(31,32)26-21(29)17-9-10-19(25-15-17)22(30)24-12-13-27/h6-10,14-15,27H,2-5,11-13H2,1H3,(H,23,28)(H,24,30)(H,26,29)
InChIKeyJCQVWYXTXFNQOT-UHFFFAOYSA-N
XLogP1.23
TPSA154.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
N-[3-(6-chlorohexylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634775
2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide
CID 19970593
2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970743
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928023
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70210949
propyl 5-[[3-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928441
5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970615
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
5-[[3-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 57079415

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide (CID 19970700) is 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide is CCCCCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1.
What is the InChIKey of 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide?
The InChIKey is JCQVWYXTXFNQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O6S/c1-2-3-4-5-11-23-20(28)16-7-6-8-18(14-16)33(31,32)26-21(29)17-9-10-19(25-15-17)22(30)24-12-13-27/h6-10,14-15,27H,2-5,11-13H2,1H3,(H,23,28)(H,24,30)(H,26,29).
What are the key properties of 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide?
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide has a molecular weight of 476.56 g/mol, XLogP of 1.23, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).