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

C16H18FN3O3S — CID 2442131

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-20(10-12-4-2-3-5-15(12)17)11-16(21)19-13-6-8-14(9-7-13)24(18,22)23/h2-9H,10-11H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyWBBOOVMZGDTRDM-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.54
Rot. Bonds6

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

2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2442131) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2442131
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-20(10-12-4-2-3-5-15(12)17)11-16(21)19-13-6-8-14(9-7-13)24(18,22)23/h2-9H,10-11H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyWBBOOVMZGDTRDM-UHFFFAOYSA-N
XLogP1.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide (CID 2442131) is 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide is CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is WBBOOVMZGDTRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-20(10-12-4-2-3-5-15(12)17)11-16(21)19-13-6-8-14(9-7-13)24(18,22)23/h2-9H,10-11H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 351.40 g/mol, XLogP of 1.54, 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)acetamide is sourced from PubChem (CID 2442131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).