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

C22H24N4O4S — CID 1039155

IUPAC2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)nc(C)n1
InChIInChI=1S/C22H24N4O4S/c1-14-5-8-19(11-15(14)2)30-13-22(27)25-18-6-9-20(10-7-18)31(28,29)26-21-12-16(3)23-17(4)24-21/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyLLIOCGVSFBXIAV-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.53
Rot. Bonds7

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

2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1039155) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID1039155
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)nc(C)n1
InChIInChI=1S/C22H24N4O4S/c1-14-5-8-19(11-15(14)2)30-13-22(27)25-18-6-9-20(10-7-18)31(28,29)26-21-12-16(3)23-17(4)24-21/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyLLIOCGVSFBXIAV-UHFFFAOYSA-N
XLogP3.53
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]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-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 987078
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063854
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 2443855
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
2-(4-chlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5008824
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4026517
2-(2,6-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 1015505

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide (CID 1039155) is 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)nc(C)n1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is LLIOCGVSFBXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14-5-8-19(11-15(14)2)30-13-22(27)25-18-6-9-20(10-7-18)31(28,29)26-21-12-16(3)23-17(4)24-21/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1039155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).