2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide

C23H25N3O7S — CID 4855182

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O7S/c1-15(2)33-20-8-7-16(34(30,31)25-9-11-32-12-10-25)13-19(20)24-21(27)14-26-22(28)17-5-3-4-6-18(17)23(26)29/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyDABXAZZURPFPDN-UHFFFAOYSA-N
MW487.53 g/mol
LogP1.73
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide (PubChem CID 4855182) has the molecular formula C23H25N3O7S and a molecular weight of 487.53 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
PubChem CID4855182
Molecular FormulaC23H25N3O7S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O7S/c1-15(2)33-20-8-7-16(34(30,31)25-9-11-32-12-10-25)13-19(20)24-21(27)14-26-22(28)17-5-3-4-6-18(17)23(26)29/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyDABXAZZURPFPDN-UHFFFAOYSA-N
XLogP1.73
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide (CID 4855182) is 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?
The InChIKey is DABXAZZURPFPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O7S/c1-15(2)33-20-8-7-16(34(30,31)25-9-11-32-12-10-25)13-19(20)24-21(27)14-26-22(28)17-5-3-4-6-18(17)23(26)29/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide has a molecular weight of 487.53 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 4855182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).