N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C19H25N3O6S — CID 16546070

IUPACN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C1=COCCO1
InChIInChI=1S/C19H25N3O6S/c23-19(18-14-27-11-12-28-18)20-16-13-15(3-4-17(16)21-5-1-2-6-21)29(24,25)22-7-9-26-10-8-22/h3-4,13-14H,1-2,5-12H2,(H,20,23)
InChIKeyOWPYWDOOPSQEEB-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.13
Rot. Bonds5

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

N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 16546070) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID16546070
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C1=COCCO1
InChIInChI=1S/C19H25N3O6S/c23-19(18-14-27-11-12-28-18)20-16-13-15(3-4-17(16)21-5-1-2-6-21)29(24,25)22-7-9-26-10-8-22/h3-4,13-14H,1-2,5-12H2,(H,20,23)
InChIKeyOWPYWDOOPSQEEB-UHFFFAOYSA-N
XLogP1.13
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 16546070) is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C1=COCCO1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is OWPYWDOOPSQEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c23-19(18-14-27-11-12-28-18)20-16-13-15(3-4-17(16)21-5-1-2-6-21)29(24,25)22-7-9-26-10-8-22/h3-4,13-14H,1-2,5-12H2,(H,20,23).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 16546070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).