N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide

C20H20N4O4S — CID 1323464

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C20H20N4O4S/c1-13-12-14(2)22-20(21-13)24-29(26,27)16-10-8-15(9-11-16)23-19(25)17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyUOHLYMOJROODIK-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.16
Rot. Bonds6

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide (PubChem CID 1323464) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide
PubChem CID1323464
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C20H20N4O4S/c1-13-12-14(2)22-20(21-13)24-29(26,27)16-10-8-15(9-11-16)23-19(25)17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyUOHLYMOJROODIK-UHFFFAOYSA-N
XLogP3.16
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.16
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-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-4-methoxybenzamide
CID 1936794
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide
CID 135547802
3-(methanesulfonamido)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzamide
CID 59509072
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-2,6-dimethoxy-benzamide
CID 651608
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)acetamide
CID 1009728
3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1072404
2-(4-Methoxy-phenyl)-N-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1150931
Cambridge id 6931956
CID 1324776

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide (CID 1323464) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide?
The InChIKey is UOHLYMOJROODIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13-12-14(2)22-20(21-13)24-29(26,27)16-10-8-15(9-11-16)23-19(25)17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide has a molecular weight of 412.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 1323464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).