3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide

C23H26N4O3S — CID 134009516

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C23H26N4O3S/c1-3-27(4-2)31(29,30)21-13-10-18(11-14-21)12-15-22(28)26-20-16-24-23(25-17-20)19-8-6-5-7-9-19/h5-11,13-14,16-17H,3-4,12,15H2,1-2H3,(H,26,28)
InChIKeyUYLKSYUVZZYQLM-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.75
Rot. Bonds9

About 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 134009516) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID134009516
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C23H26N4O3S/c1-3-27(4-2)31(29,30)21-13-10-18(11-14-21)12-15-22(28)26-20-16-24-23(25-17-20)19-8-6-5-7-9-19/h5-11,13-14,16-17H,3-4,12,15H2,1-2H3,(H,26,28)
InChIKeyUYLKSYUVZZYQLM-UHFFFAOYSA-N
XLogP3.75
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide
CID 55436052
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26017530
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 32732309
N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46528972
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide (CID 134009516) is 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cnc(-c3ccccc3)nc2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is UYLKSYUVZZYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-3-27(4-2)31(29,30)21-13-10-18(11-14-21)12-15-22(28)26-20-16-24-23(25-17-20)19-8-6-5-7-9-19/h5-11,13-14,16-17H,3-4,12,15H2,1-2H3,(H,26,28).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 438.55 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 134009516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).