2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide

C24H26N4O6S — CID 55329357

IUPAC2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)cc2C1=O
InChIInChI=1S/C24H26N4O6S/c1-26-23(30)18-6-4-16(14-19(18)24(26)31)22(29)25-20-15-17(5-7-21(20)27-8-2-3-9-27)35(32,33)28-10-12-34-13-11-28/h4-7,14-15H,2-3,8-13H2,1H3,(H,25,29)
InChIKeyITQQYSSNPOBLMT-UHFFFAOYSA-N
MW498.56 g/mol
LogP1.79
Rot. Bonds5

About 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide

2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55329357) has the molecular formula C24H26N4O6S and a molecular weight of 498.56 g/mol. Its IUPAC name is 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID55329357
Molecular FormulaC24H26N4O6S
Molecular Weight498.56 g/mol
Exact Mass498.16
IUPAC Name2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)cc2C1=O
InChIInChI=1S/C24H26N4O6S/c1-26-23(30)18-6-4-16(14-19(18)24(26)31)22(29)25-20-15-17(5-7-21(20)27-8-2-3-9-27)35(32,33)28-10-12-34-13-11-28/h4-7,14-15H,2-3,8-13H2,1H3,(H,25,29)
InChIKeyITQQYSSNPOBLMT-UHFFFAOYSA-N
XLogP1.79
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
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CID 5092221
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 55329357) is 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)cc2C1=O.
What is the InChIKey of 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ITQQYSSNPOBLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6S/c1-26-23(30)18-6-4-16(14-19(18)24(26)31)22(29)25-20-15-17(5-7-21(20)27-8-2-3-9-27)35(32,33)28-10-12-34-13-11-28/h4-7,14-15H,2-3,8-13H2,1H3,(H,25,29).
What are the key properties of 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55329357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).