2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

C17H20FN3O3S — CID 4845097

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1F
InChIInChI=1S/C17H20FN3O3S/c1-12(21(2)11-13-5-3-4-6-16(13)18)17(22)20-14-7-9-15(10-8-14)25(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeySKTFPSDMLPPMQT-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.93
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 4845097) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID4845097
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1F
InChIInChI=1S/C17H20FN3O3S/c1-12(21(2)11-13-5-3-4-6-16(13)18)17(22)20-14-7-9-15(10-8-14)25(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeySKTFPSDMLPPMQT-UHFFFAOYSA-N
XLogP1.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55351564
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8517812
(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 2657912
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517945
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517821
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55361761
(2S)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 9434113
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (CID 4845097) is 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is SKTFPSDMLPPMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-12(21(2)11-13-5-3-4-6-16(13)18)17(22)20-14-7-9-15(10-8-14)25(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 4845097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).