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

C21H22N4O4S — CID 1234706

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C21H22N4O4S/c1-4-29-19-8-6-5-7-18(19)20(26)24-16-9-11-17(12-10-16)30(27,28)25-21-22-14(2)13-15(3)23-21/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyAAAQITMOTRAMTE-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.55
Rot. Bonds7

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide (PubChem CID 1234706) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
PubChem CID1234706
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C21H22N4O4S/c1-4-29-19-8-6-5-7-18(19)20(26)24-16-9-11-17(12-10-16)30(27,28)25-21-22-14(2)13-15(3)23-21/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyAAAQITMOTRAMTE-UHFFFAOYSA-N
XLogP3.55
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide (CID 1234706) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=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-ethoxybenzamide?
The InChIKey is AAAQITMOTRAMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-4-29-19-8-6-5-7-18(19)20(26)24-16-9-11-17(12-10-16)30(27,28)25-21-22-14(2)13-15(3)23-21/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide has a molecular weight of 426.50 g/mol, XLogP of 3.55, 7 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-ethoxybenzamide is sourced from PubChem (CID 1234706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).