N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide

C13H19FN2O3S — CID 39633113

IUPACN-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H19FN2O3S/c1-4-15-13(17)9-16(5-2)20(18,19)12-8-11(14)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyKSOGOVLAOQFXRP-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.28
Rot. Bonds6

About N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide

N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide (PubChem CID 39633113) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
PubChem CID39633113
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H19FN2O3S/c1-4-15-13(17)9-16(5-2)20(18,19)12-8-11(14)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyKSOGOVLAOQFXRP-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide
CID 71854645
N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide
CID 18289830
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288
N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781403
2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937660
N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781337
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 17475869

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide (CID 39633113) is N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide is CCNC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is KSOGOVLAOQFXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-4-15-13(17)9-16(5-2)20(18,19)12-8-11(14)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide?
N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 39633113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).