4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide

C24H25N5O5S — CID 71792163

IUPAC4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C3COCC(=O)N3Cc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C24H25N5O5S/c1-16-12-22(26-17(2)25-16)28-35(32,33)20-10-8-19(9-11-20)27-24(31)21-14-34-15-23(30)29(21)13-18-6-4-3-5-7-18/h3-12,21H,13-15H2,1-2H3,(H,27,31)(H,25,26,28)
InChIKeyJHOUKUWNKKPBOE-UHFFFAOYSA-N
MW495.56 g/mol
LogP2.26
Rot. Bonds7

About 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide

4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide (PubChem CID 71792163) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide
PubChem CID71792163
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC Name4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C3COCC(=O)N3Cc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C24H25N5O5S/c1-16-12-22(26-17(2)25-16)28-35(32,33)20-10-8-19(9-11-20)27-24(31)21-14-34-15-23(30)29(21)13-18-6-4-3-5-7-18/h3-12,21H,13-15H2,1-2H3,(H,27,31)(H,25,26,28)
InChIKeyJHOUKUWNKKPBOE-UHFFFAOYSA-N
XLogP2.26
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide (CID 71792163) is 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3COCC(=O)N3Cc3ccccc3)cc2)nc(C)n1.
What is the InChIKey of 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is JHOUKUWNKKPBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-16-12-22(26-17(2)25-16)28-35(32,33)20-10-8-19(9-11-20)27-24(31)21-14-34-15-23(30)29(21)13-18-6-4-3-5-7-18/h3-12,21H,13-15H2,1-2H3,(H,27,31)(H,25,26,28).
What are the key properties of 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide?
4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 71792163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).