3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

C20H25FN2O3S — CID 18121351

IUPAC3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-15(2)23-27(25,26)14-18-6-4-3-5-17(18)13-22-20(24)12-9-16-7-10-19(21)11-8-16/h3-8,10-11,15,23H,9,12-14H2,1-2H3,(H,22,24)
InChIKeyZBOIKCDMRAYHQS-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.90
Rot. Bonds9

About 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 18121351) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID18121351
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-15(2)23-27(25,26)14-18-6-4-3-5-17(18)13-22-20(24)12-9-16-7-10-19(21)11-8-16/h3-8,10-11,15,23H,9,12-14H2,1-2H3,(H,22,24)
InChIKeyZBOIKCDMRAYHQS-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111231188
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 24554638
2-[(4-methylphenyl)methylsulfanyl]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33452266
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 24616463

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (CID 18121351) is 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is ZBOIKCDMRAYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-15(2)23-27(25,26)14-18-6-4-3-5-17(18)13-22-20(24)12-9-16-7-10-19(21)11-8-16/h3-8,10-11,15,23H,9,12-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18121351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).