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

C22H24N4O5S — CID 1150965

IUPAC3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OCC
InChIInChI=1S/C22H24N4O5S/c1-4-30-19-11-6-16(14-20(19)31-5-2)21(27)25-17-7-9-18(10-8-17)32(28,29)26-22-23-13-12-15(3)24-22/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyUYSYRDPMFUKYJS-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.64
Rot. Bonds9

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

3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1150965) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1150965
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OCC
InChIInChI=1S/C22H24N4O5S/c1-4-30-19-11-6-16(14-20(19)31-5-2)21(27)25-17-7-9-18(10-8-17)32(28,29)26-22-23-13-12-15(3)24-22/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyUYSYRDPMFUKYJS-UHFFFAOYSA-N
XLogP3.64
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 1150965) is 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is UYSYRDPMFUKYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-4-30-19-11-6-16(14-20(19)31-5-2)21(27)25-17-7-9-18(10-8-17)32(28,29)26-22-23-13-12-15(3)24-22/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 456.52 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1150965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).