N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C19H23FN2O3S — CID 1296238

IUPACN-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-4-14-7-6-8-15(5-2)19(14)21-18(23)13-22(26(3,24)25)17-11-9-16(20)10-12-17/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyGSUNTNGRDFRCLJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.36
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 1296238) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID1296238
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-4-14-7-6-8-15(5-2)19(14)21-18(23)13-22(26(3,24)25)17-11-9-16(20)10-12-17/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyGSUNTNGRDFRCLJ-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143603
N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 4615229
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2208111
N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2228494
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 1296238) is N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is CCc1cccc(CC)c1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is GSUNTNGRDFRCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-4-14-7-6-8-15(5-2)19(14)21-18(23)13-22(26(3,24)25)17-11-9-16(20)10-12-17/h6-12H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1296238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).