N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide

C17H19FN2O3S — CID 28635475

IUPACN-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19FN2O3S/c1-13-4-3-5-16(10-13)20(24(2,22)23)12-17(21)19-11-14-6-8-15(18)9-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyIVWTWLKHXIXWBD-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.22
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 28635475) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID28635475
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19FN2O3S/c1-13-4-3-5-16(10-13)20(24(2,22)23)12-17(21)19-11-14-6-8-15(18)9-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyIVWTWLKHXIXWBD-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43876048
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343
N-[(4-chlorophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285185
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217272
2-(3-methyl-N-methylsulfonylanilino)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137196590
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589040
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]acetamide
CID 53279455
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28635589
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272987
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 28635475) is N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is IVWTWLKHXIXWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-13-4-3-5-16(10-13)20(24(2,22)23)12-17(21)19-11-14-6-8-15(18)9-7-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 28635475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).