N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H27N3O6S — CID 28631793

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C23H27N3O6S/c1-31-21-9-8-19(33(29,30)26-11-13-32-14-12-26)15-20(21)24-23(28)18-6-4-17(5-7-18)16-25-10-2-3-22(25)27/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,28)
InChIKeyMBRNHMAUNSZLBU-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.09
Rot. Bonds7

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 28631793) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID28631793
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C23H27N3O6S/c1-31-21-9-8-19(33(29,30)26-11-13-32-14-12-26)15-20(21)24-23(28)18-6-4-17(5-7-18)16-25-10-2-3-22(25)27/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,28)
InChIKeyMBRNHMAUNSZLBU-UHFFFAOYSA-N
XLogP2.09
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92682610
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 38019961
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42993641
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 100585854
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3435675

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 28631793) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is MBRNHMAUNSZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-31-21-9-8-19(33(29,30)26-11-13-32-14-12-26)15-20(21)24-23(28)18-6-4-17(5-7-18)16-25-10-2-3-22(25)27/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,28).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 28631793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).