N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

C24H27N3O6S — CID 43024471

IUPACN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)Cc2ccccc21
InChIInChI=1S/C24H27N3O6S/c28-23(22-15-17-5-1-2-6-19(17)24(29)33-22)25-20-16-18(7-8-21(20)26-9-3-4-10-26)34(30,31)27-11-13-32-14-12-27/h1-2,5-8,16,22H,3-4,9-15H2,(H,25,28)
InChIKeyNMASLIGTZLFINJ-UHFFFAOYSA-N
MW485.56 g/mol
LogP2.03
Rot. Bonds5

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

N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 43024471) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID43024471
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)Cc2ccccc21
InChIInChI=1S/C24H27N3O6S/c28-23(22-15-17-5-1-2-6-19(17)24(29)33-22)25-20-16-18(7-8-21(20)26-9-3-4-10-26)34(30,31)27-11-13-32-14-12-27/h1-2,5-8,16,22H,3-4,9-15H2,(H,25,28)
InChIKeyNMASLIGTZLFINJ-UHFFFAOYSA-N
XLogP2.03
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.03
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)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 43024471) is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is O=C1OC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)Cc2ccccc21.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is NMASLIGTZLFINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c28-23(22-15-17-5-1-2-6-19(17)24(29)33-22)25-20-16-18(7-8-21(20)26-9-3-4-10-26)34(30,31)27-11-13-32-14-12-27/h1-2,5-8,16,22H,3-4,9-15H2,(H,25,28).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 2.03, 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)-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 43024471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).