2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide

C19H23FN2O3S — CID 43907307

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2ccc(F)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H23FN2O3S/c1-13-5-10-18(14(2)11-13)22(26(4,24)25)12-19(23)21-15(3)16-6-8-17(20)9-7-16/h5-11,15H,12H2,1-4H3,(H,21,23)
InChIKeyMWMICGLEBPEFEH-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.09
Rot. Bonds6

About 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43907307) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID43907307
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2ccc(F)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H23FN2O3S/c1-13-5-10-18(14(2)11-13)22(26(4,24)25)12-19(23)21-15(3)16-6-8-17(20)9-7-16/h5-11,15H,12H2,1-4H3,(H,21,23)
InChIKeyMWMICGLEBPEFEH-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 46770349
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902286
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125084919
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 132660256
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 92685083
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915518
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895867

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 43907307) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide is Cc1ccc(N(CC(=O)NC(C)c2ccc(F)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MWMICGLEBPEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-13-5-10-18(14(2)11-13)22(26(4,24)25)12-19(23)21-15(3)16-6-8-17(20)9-7-16/h5-11,15H,12H2,1-4H3,(H,21,23).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43907307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).