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

C20H20N4O5S — CID 1164319

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC
InChIInChI=1S/C20H20N4O5S/c1-28-17-9-4-14(12-18(17)29-2)13-19(25)23-15-5-7-16(8-6-15)30(26,27)24-20-21-10-3-11-22-20/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyUPNDSCISZACPCZ-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.48
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1164319) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1164319
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC
InChIInChI=1S/C20H20N4O5S/c1-28-17-9-4-14(12-18(17)29-2)13-19(25)23-15-5-7-16(8-6-15)30(26,27)24-20-21-10-3-11-22-20/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyUPNDSCISZACPCZ-UHFFFAOYSA-N
XLogP2.48
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 1164319) is 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is UPNDSCISZACPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-28-17-9-4-14(12-18(17)29-2)13-19(25)23-15-5-7-16(8-6-15)30(26,27)24-20-21-10-3-11-22-20/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1164319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).