N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C18H22N4O5S — CID 16644130

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C18H22N4O5S/c1-12-10-13(2)20-18(19-12)21-17(23)15-11-14(4-5-16(15)26-3)28(24,25)22-6-8-27-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,21,23)
InChIKeyJSOFPVLLZJCIBR-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.38
Rot. Bonds5

About N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 16644130) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID16644130
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C18H22N4O5S/c1-12-10-13(2)20-18(19-12)21-17(23)15-11-14(4-5-16(15)26-3)28(24,25)22-6-8-27-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,21,23)
InChIKeyJSOFPVLLZJCIBR-UHFFFAOYSA-N
XLogP1.38
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 16644130) is N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JSOFPVLLZJCIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-12-10-13(2)20-18(19-12)21-17(23)15-11-14(4-5-16(15)26-3)28(24,25)22-6-8-27-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,21,23).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 406.46 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16644130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).