2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide

C22H25N3O6S — CID 6619553

IUPAC2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C1=O
InChIInChI=1S/C22H25N3O6S/c1-30-12-9-24-15-16-3-2-4-19(20(16)22(24)27)21(26)23-17-5-7-18(8-6-17)32(28,29)25-10-13-31-14-11-25/h2-8H,9-15H2,1H3,(H,23,26)
InChIKeyYTNBTJGBGISENI-UHFFFAOYSA-N
MW459.52 g/mol
LogP1.56
Rot. Bonds7

About 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 6619553) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID6619553
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C1=O
InChIInChI=1S/C22H25N3O6S/c1-30-12-9-24-15-16-3-2-4-19(20(16)22(24)27)21(26)23-17-5-7-18(8-6-17)32(28,29)25-10-13-31-14-11-25/h2-8H,9-15H2,1H3,(H,23,26)
InChIKeyYTNBTJGBGISENI-UHFFFAOYSA-N
XLogP1.56
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 6619553) is 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is YTNBTJGBGISENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-30-12-9-24-15-16-3-2-4-19(20(16)22(24)27)21(26)23-17-5-7-18(8-6-17)32(28,29)25-10-13-31-14-11-25/h2-8H,9-15H2,1H3,(H,23,26).
What are the key properties of 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 6619553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).