3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide

C20H25FN2O3S — CID 29207331

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-4-23(5-2)27(25,26)18-11-7-16(8-12-18)9-13-20(24)22-17-10-6-15(3)19(21)14-17/h6-8,10-12,14H,4-5,9,13H2,1-3H3,(H,22,24)
InChIKeyNUSCWBCDQZFIBT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.74
Rot. Bonds8

About 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 29207331) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID29207331
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-4-23(5-2)27(25,26)18-11-7-16(8-12-18)9-13-20(24)22-17-10-6-15(3)19(21)14-17/h6-8,10-12,14H,4-5,9,13H2,1-3H3,(H,22,24)
InChIKeyNUSCWBCDQZFIBT-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557411
3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26017530
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785408
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009516
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide (CID 29207331) is 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is NUSCWBCDQZFIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-4-23(5-2)27(25,26)18-11-7-16(8-12-18)9-13-20(24)22-17-10-6-15(3)19(21)14-17/h6-8,10-12,14H,4-5,9,13H2,1-3H3,(H,22,24).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 29207331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).