N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C20H19N3O7S — CID 2123807

IUPACN-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H19N3O7S/c1-29-15-6-5-12(11-16(15)31(27,28)23-7-9-30-10-8-23)18(24)21-14-4-2-3-13-17(14)20(26)22-19(13)25/h2-6,11H,7-10H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyIAAPSLPYPMWVLQ-UHFFFAOYSA-N
MW445.45 g/mol
LogP0.85
Rot. Bonds5

About N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2123807) has the molecular formula C20H19N3O7S and a molecular weight of 445.45 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2123807
Molecular FormulaC20H19N3O7S
Molecular Weight445.45 g/mol
Exact Mass445.09
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H19N3O7S/c1-29-15-6-5-12(11-16(15)31(27,28)23-7-9-30-10-8-23)18(24)21-14-4-2-3-13-17(14)20(26)22-19(13)25/h2-6,11H,7-10H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyIAAPSLPYPMWVLQ-UHFFFAOYSA-N
XLogP0.85
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 50.85
H-Bond Donors ≤ 52
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 N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 2123807) is N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is IAAPSLPYPMWVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O7S/c1-29-15-6-5-12(11-16(15)31(27,28)23-7-9-30-10-8-23)18(24)21-14-4-2-3-13-17(14)20(26)22-19(13)25/h2-6,11H,7-10H2,1H3,(H,21,24)(H,22,25,26).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 445.45 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2123807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).