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

C18H21FN2O3S — CID 38123056

IUPAC3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-20-25(23,24)13-16-4-2-15(3-5-16)12-21-18(22)11-8-14-6-9-17(19)10-7-14/h2-7,9-10,20H,8,11-13H2,1H3,(H,21,22)
InChIKeyMUBFNDGZURVNSV-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.12
Rot. Bonds8

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

3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 38123056) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID38123056
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-20-25(23,24)13-16-4-2-15(3-5-16)12-21-18(22)11-8-14-6-9-17(19)10-7-14/h2-7,9-10,20H,8,11-13H2,1H3,(H,21,22)
InChIKeyMUBFNDGZURVNSV-UHFFFAOYSA-N
XLogP2.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24644992
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 18121351
2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 29288985
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide (CID 38123056) is 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide is CNS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is MUBFNDGZURVNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-20-25(23,24)13-16-4-2-15(3-5-16)12-21-18(22)11-8-14-6-9-17(19)10-7-14/h2-7,9-10,20H,8,11-13H2,1H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 38123056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).