2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide

C21H21N5O5S — CID 2470253

IUPAC2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H21N5O5S/c1-31-18-6-3-2-5-17(18)20(28)22-14-11-19(27)25-15-7-9-16(10-8-15)32(29,30)26-21-23-12-4-13-24-21/h2-10,12-13H,11,14H2,1H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeyOUVSYRHQBZUNDH-UHFFFAOYSA-N
MW455.50 g/mol
LogP2.04
Rot. Bonds9

About 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide

2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide (PubChem CID 2470253) has the molecular formula C21H21N5O5S and a molecular weight of 455.50 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide
PubChem CID2470253
Molecular FormulaC21H21N5O5S
Molecular Weight455.50 g/mol
Exact Mass455.13
IUPAC Name2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H21N5O5S/c1-31-18-6-3-2-5-17(18)20(28)22-14-11-19(27)25-15-7-9-16(10-8-15)32(29,30)26-21-23-12-4-13-24-21/h2-10,12-13H,11,14H2,1H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeyOUVSYRHQBZUNDH-UHFFFAOYSA-N
XLogP2.04
TPSA139.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide (CID 2470253) is 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide?
The InChIKey is OUVSYRHQBZUNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S/c1-31-18-6-3-2-5-17(18)20(28)22-14-11-19(27)25-15-7-9-16(10-8-15)32(29,30)26-21-23-12-4-13-24-21/h2-10,12-13H,11,14H2,1H3,(H,22,28)(H,25,27)(H,23,24,26).
What are the key properties of 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide?
2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide has a molecular weight of 455.50 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propyl]benzamide is sourced from PubChem (CID 2470253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).