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

C22H24N4O5S — CID 1193009

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C22H24N4O5S/c1-4-30-18-7-9-19(10-8-18)31-14-22(27)25-17-5-11-20(12-6-17)32(28,29)26-21-13-15(2)23-16(3)24-21/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeySUHZOFJVMAKYHO-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.31
Rot. Bonds9

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

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 1193009) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID1193009
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C22H24N4O5S/c1-4-30-18-7-9-19(10-8-18)31-14-22(27)25-17-5-11-20(12-6-17)32(28,29)26-21-13-15(2)23-16(3)24-21/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeySUHZOFJVMAKYHO-UHFFFAOYSA-N
XLogP3.31
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
2-(2-chlorophenoxy)-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
CID 1014082
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
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2,3,5-trimethylphenoxy)acetamide
CID 1192510
2-(4-tert-butylphenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1320787
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1564331
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 2142907
N-{[(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-2-(2-methoxyphenoxy)acetamide
CID 2947400
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)propanamide
CID 2965125
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 2998330

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide (CID 1193009) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is SUHZOFJVMAKYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-4-30-18-7-9-19(10-8-18)31-14-22(27)25-17-5-11-20(12-6-17)32(28,29)26-21-13-15(2)23-16(3)24-21/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 456.52 g/mol, XLogP of 3.31, 9 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-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 1193009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).