3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide

C18H21FN2O3S — CID 28557399

IUPAC3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-21(2)25(23,24)17-10-5-14(6-11-17)7-12-18(22)20-13-15-3-8-16(19)9-4-15/h3-6,8-11H,7,12-13H2,1-2H3,(H,20,22)
InChIKeyJTZZJJAPQMCBPK-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.33
Rot. Bonds7

About 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide

3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 28557399) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID28557399
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-21(2)25(23,24)17-10-5-14(6-11-17)7-12-18(22)20-13-15-3-8-16(19)9-4-15/h3-6,8-11H,7,12-13H2,1-2H3,(H,20,22)
InChIKeyJTZZJJAPQMCBPK-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057970
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557411
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546081

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide (CID 28557399) is 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide is CN(C)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is JTZZJJAPQMCBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-21(2)25(23,24)17-10-5-14(6-11-17)7-12-18(22)20-13-15-3-8-16(19)9-4-15/h3-6,8-11H,7,12-13H2,1-2H3,(H,20,22).
What are the key properties of 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 28557399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).