N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C17H19FN2O3S — CID 1102314

IUPACN-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-4-9-16(13(2)10-12)19-17(21)11-20(24(3,22)23)15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyPFPNXZYUHDEMPB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.85
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 1102314) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID1102314
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-4-9-16(13(2)10-12)19-17(21)11-20(24(3,22)23)15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyPFPNXZYUHDEMPB-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994
N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283214
N-(2,4-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 4041099
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 1102314) is N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is PFPNXZYUHDEMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-4-9-16(13(2)10-12)19-17(21)11-20(24(3,22)23)15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1102314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).