3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C21H22N4O4S — CID 3470760

IUPAC3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N4O4S/c1-15-13-14-22-21(23-15)25-30(27,28)19-10-6-17(7-11-19)24-20(26)12-5-16-3-8-18(29-2)9-4-16/h3-4,6-11,13-14H,5,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNMHRFRJFQNEYAF-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.17
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 3470760) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID3470760
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N4O4S/c1-15-13-14-22-21(23-15)25-30(27,28)19-10-6-17(7-11-19)24-20(26)12-5-16-3-8-18(29-2)9-4-16/h3-4,6-11,13-14H,5,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNMHRFRJFQNEYAF-UHFFFAOYSA-N
XLogP3.17
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.17
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-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 3470760) is 3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is NMHRFRJFQNEYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-15-13-14-22-21(23-15)25-30(27,28)19-10-6-17(7-11-19)24-20(26)12-5-16-3-8-18(29-2)9-4-16/h3-4,6-11,13-14H,5,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 426.50 g/mol, XLogP of 3.17, 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-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 3470760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).