N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C18H21FN2O3S — CID 1317140

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-4-14-7-5-6-13(2)18(14)20-17(22)12-21(25(3,23)24)16-10-8-15(19)9-11-16/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyXNPKEQZKSIMWKQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.10
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 1317140) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID1317140
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-4-14-7-5-6-13(2)18(14)20-17(22)12-21(25(3,23)24)16-10-8-15(19)9-11-16/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyXNPKEQZKSIMWKQ-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1296238
N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143603
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2228494
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126144522
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 4615229

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 1317140) is N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is CCc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is XNPKEQZKSIMWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-4-14-7-5-6-13(2)18(14)20-17(22)12-21(25(3,23)24)16-10-8-15(19)9-11-16/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 364.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1317140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).