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

C21H22N4O5S — CID 651608

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C21H22N4O5S/c1-13-12-19(23-14(2)22-13)25-31(27,28)16-10-8-15(9-11-16)24-21(26)20-17(29-3)6-5-7-18(20)30-4/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyQJPBEYAQFWMEQT-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.16
Rot. Bonds7

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

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide (PubChem CID 651608) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide
PubChem CID651608
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C21H22N4O5S/c1-13-12-19(23-14(2)22-13)25-31(27,28)16-10-8-15(9-11-16)24-21(26)20-17(29-3)6-5-7-18(20)30-4/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyQJPBEYAQFWMEQT-UHFFFAOYSA-N
XLogP3.16
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-methoxybenzamide
CID 1323464
Cambridge id 6931956
CID 1324776
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1564331
4-{[(1E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 1894837
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 2305695
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 2401422
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 2443855
N-[1-{[(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonyl}-2-(2-methoxyphenyl)vinyl]benzamide
CID 5341249

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide (CID 651608) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide?
The InChIKey is QJPBEYAQFWMEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-13-12-19(23-14(2)22-13)25-31(27,28)16-10-8-15(9-11-16)24-21(26)20-17(29-3)6-5-7-18(20)30-4/h5-12H,1-4H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide has a molecular weight of 442.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 651608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).