N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide

C21H22N4O4S — CID 2789353

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1
InChIInChI=1S/C21H22N4O4S/c1-14-5-4-6-18(11-14)29-13-21(26)24-17-7-9-19(10-8-17)30(27,28)25-20-12-15(2)22-16(3)23-20/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyRCEJLDVMMFSXTE-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.22
Rot. Bonds7

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 2789353) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID2789353
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1
InChIInChI=1S/C21H22N4O4S/c1-14-5-4-6-18(11-14)29-13-21(26)24-17-7-9-19(10-8-17)30(27,28)25-20-12-15(2)22-16(3)23-20/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyRCEJLDVMMFSXTE-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide 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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)acetamide
CID 1009728
2-(2-chlorophenoxy)-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
CID 1014082
2-(3,5-dimethylphenoxy)-N-{4-[(2-pyridinylamino)sulfonyl]phenyl}acetamide
CID 1078193
2-(3,4-dimethylphenoxy)-N-{4-[(2-pyridylamino)sulfonyl]phenyl}acetamide
CID 1078194
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1103426
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 1144624
2-(4-tert-butylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1183047
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2,3,5-trimethylphenoxy)acetamide
CID 1192510
N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-ethoxyphenoxy)acetamide
CID 1193009
2-(4-tert-butylphenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1320787

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide (CID 2789353) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is RCEJLDVMMFSXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14-5-4-6-18(11-14)29-13-21(26)24-17-7-9-19(10-8-17)30(27,28)25-20-12-15(2)22-16(3)23-20/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 426.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 2789353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).