N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide

C21H22N4O6S — CID 1324776

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C21H22N4O6S/c1-4-31-17-8-6-5-7-16(17)20(26)22-14-9-11-15(12-10-14)32(27,28)25-18-13-19(29-2)24-21(23-18)30-3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyMQQPGLGXHYFLMC-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.95
Rot. Bonds9

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide (PubChem CID 1324776) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
PubChem CID1324776
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C21H22N4O6S/c1-4-31-17-8-6-5-7-16(17)20(26)22-14-9-11-15(12-10-14)32(27,28)25-18-13-19(29-2)24-21(23-18)30-3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyMQQPGLGXHYFLMC-UHFFFAOYSA-N
XLogP2.95
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide (CID 1324776) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
The InChIKey is MQQPGLGXHYFLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-4-31-17-8-6-5-7-16(17)20(26)22-14-9-11-15(12-10-14)32(27,28)25-18-13-19(29-2)24-21(23-18)30-3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide has a molecular weight of 458.50 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 1324776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).