3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C20H20N4O5S — CID 1048934

IUPAC3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OC
InChIInChI=1S/C20H20N4O5S/c1-13-10-11-21-20(22-13)24-30(26,27)16-7-5-15(6-8-16)23-19(25)14-4-9-17(28-2)18(12-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyHVRACJDTTLMEBS-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.86
Rot. Bonds7

About 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1048934) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1048934
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OC
InChIInChI=1S/C20H20N4O5S/c1-13-10-11-21-20(22-13)24-30(26,27)16-7-5-15(6-8-16)23-19(25)14-4-9-17(28-2)18(12-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyHVRACJDTTLMEBS-UHFFFAOYSA-N
XLogP2.86
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 1048934) is 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is HVRACJDTTLMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-13-10-11-21-20(22-13)24-30(26,27)16-7-5-15(6-8-16)23-19(25)14-4-9-17(28-2)18(12-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 428.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1048934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).