3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C20H20N4O4S — CID 2450482

IUPAC3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-28-17-8-3-15(4-9-17)5-12-19(25)23-16-6-10-18(11-7-16)29(26,27)24-20-21-13-2-14-22-20/h2-4,6-11,13-14H,5,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyVDIFNHPYBSDTGL-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.86
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 2450482) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID2450482
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-28-17-8-3-15(4-9-17)5-12-19(25)23-16-6-10-18(11-7-16)29(26,27)24-20-21-13-2-14-22-20/h2-4,6-11,13-14H,5,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyVDIFNHPYBSDTGL-UHFFFAOYSA-N
XLogP2.86
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 2450482) is 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is VDIFNHPYBSDTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-28-17-8-3-15(4-9-17)5-12-19(25)23-16-6-10-18(11-7-16)29(26,27)24-20-21-13-2-14-22-20/h2-4,6-11,13-14H,5,12H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 412.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2450482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).