N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C21H22N4O6S — CID 2079911

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O6S/c1-29-17-11-14(12-18(30-2)20(17)31-3)13-19(26)24-15-5-7-16(8-6-15)32(27,28)25-21-22-9-4-10-23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyAFSQWQQBDBSTKS-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.48
Rot. Bonds9

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2079911) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2079911
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O6S/c1-29-17-11-14(12-18(30-2)20(17)31-3)13-19(26)24-15-5-7-16(8-6-15)32(27,28)25-21-22-9-4-10-23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyAFSQWQQBDBSTKS-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2079911) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is AFSQWQQBDBSTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-29-17-11-14(12-18(30-2)20(17)31-3)13-19(26)24-15-5-7-16(8-6-15)32(27,28)25-21-22-9-4-10-23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 458.50 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2079911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).