3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide

C22H22N4O6S — CID 24818159

IUPAC3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C22H22N4O6S/c1-3-32-22-19(8-5-13-23-22)21(28)25-24-20(27)15-6-4-7-18(14-15)33(29,30)26-16-9-11-17(31-2)12-10-16/h4-14,26H,3H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQJOWNEARDLMTGJ-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.36
Rot. Bonds8

About 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide

3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 24818159) has the molecular formula C22H22N4O6S and a molecular weight of 470.51 g/mol. Its IUPAC name is 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID24818159
Molecular FormulaC22H22N4O6S
Molecular Weight470.51 g/mol
Exact Mass470.13
IUPAC Name3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C22H22N4O6S/c1-3-32-22-19(8-5-13-23-22)21(28)25-24-20(27)15-6-4-7-18(14-15)33(29,30)26-16-9-11-17(31-2)12-10-16/h4-14,26H,3H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQJOWNEARDLMTGJ-UHFFFAOYSA-N
XLogP2.36
TPSA135.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 24818159) is 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide is CCOc1ncccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is QJOWNEARDLMTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6S/c1-3-32-22-19(8-5-13-23-22)21(28)25-24-20(27)15-6-4-7-18(14-15)33(29,30)26-16-9-11-17(31-2)12-10-16/h4-14,26H,3H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 470.51 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 24818159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).