N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide

C18H21FN2O3S — CID 112997342

IUPACN-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-13-6-5-7-14(4-2)18(13)21-17(22)12-20-25(23,24)16-10-8-15(19)9-11-16/h5-11,20H,3-4,12H2,1-2H3,(H,21,22)
InChIKeyNYYRDFHSHAQWRW-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.87
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide

N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 112997342) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID112997342
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-13-6-5-7-14(4-2)18(13)21-17(22)12-20-25(23,24)16-10-8-15(19)9-11-16/h5-11,20H,3-4,12H2,1-2H3,(H,21,22)
InChIKeyNYYRDFHSHAQWRW-UHFFFAOYSA-N
XLogP2.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596410
N-(2-ethyl-6-methylphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112997050
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 772291
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 71696139
N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000450
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997077
2-[(4-fluorophenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 126134237
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1296238
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961607

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide (CID 112997342) is N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide is CCc1cccc(CC)c1NC(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is NYYRDFHSHAQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-13-6-5-7-14(4-2)18(13)21-17(22)12-20-25(23,24)16-10-8-15(19)9-11-16/h5-11,20H,3-4,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide?
N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 364.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112997342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).