4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C19H18N4O4S — CID 1150928

IUPAC4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C19H18N4O4S/c1-13-11-12-20-19(21-13)23-28(25,26)17-9-5-15(6-10-17)22-18(24)14-3-7-16(27-2)8-4-14/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyKEWGYGQCLIKOQT-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.85
Rot. Bonds6

About 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1150928) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1150928
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C19H18N4O4S/c1-13-11-12-20-19(21-13)23-28(25,26)17-9-5-15(6-10-17)22-18(24)14-3-7-16(27-2)8-4-14/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyKEWGYGQCLIKOQT-UHFFFAOYSA-N
XLogP2.85
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1989527
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1001748
3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1048934
4-Methoxy-N-[4-(3-methoxy-pyrazin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1068859
3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150965
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1974798
N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-4-methoxybenzamide
CID 1936794
4-Methoxy-N-(6-phenyl-pyrimidin-4-yl)-benzamide
CID 10709706
4-(4-(4-Methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11667571
4-[[1-(4-hydroxybenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 46226678
6-(4-Methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135382567

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 1150928) is 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is KEWGYGQCLIKOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-13-11-12-20-19(21-13)23-28(25,26)17-9-5-15(6-10-17)22-18(24)14-3-7-16(27-2)8-4-14/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 398.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1150928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).