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

C21H22N4O6S — CID 1381291

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1
InChIInChI=1S/C21H22N4O6S/c1-4-31-16-9-5-14(6-10-16)20(26)22-15-7-11-17(12-8-15)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)
InChIKeyVROYKWGLNAFFNC-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.95
Rot. Bonds9

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

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide (PubChem CID 1381291) 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]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
PubChem CID1381291
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1
InChIInChI=1S/C21H22N4O6S/c1-4-31-16-9-5-14(6-10-16)20(26)22-15-7-11-17(12-8-15)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)
InChIKeyVROYKWGLNAFFNC-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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Related Compounds

4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 4936152
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949021
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956868
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508767
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 25047643
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
N-(2,6-dimethoxypyrimidin-4-yl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22203987

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide (CID 1381291) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide?
The InChIKey is VROYKWGLNAFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-4-31-16-9-5-14(6-10-16)20(26)22-15-7-11-17(12-8-15)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]-4-ethoxybenzamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-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]-4-ethoxybenzamide is sourced from PubChem (CID 1381291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).