2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide

C21H20FN3O3S — CID 42111358

IUPAC2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccnc1)NCCc1ccccc1
InChIInChI=1S/C21H20FN3O3S/c22-18-8-10-19(11-9-18)25(29(27,28)20-7-4-13-23-15-20)16-21(26)24-14-12-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H,24,26)
InChIKeyMEOBIHGCYPZURZ-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.77
Rot. Bonds8

About 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide

2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide (PubChem CID 42111358) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide
PubChem CID42111358
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccnc1)NCCc1ccccc1
InChIInChI=1S/C21H20FN3O3S/c22-18-8-10-19(11-9-18)25(29(27,28)20-7-4-13-23-15-20)16-21(26)24-14-12-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H,24,26)
InChIKeyMEOBIHGCYPZURZ-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2865069
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1137711
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123123
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-tert-butylsulfanylethyl)acetamide
CID 2288502

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide (CID 42111358) is 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccnc1)NCCc1ccccc1.
What is the InChIKey of 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is MEOBIHGCYPZURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c22-18-8-10-19(11-9-18)25(29(27,28)20-7-4-13-23-15-20)16-21(26)24-14-12-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H,24,26).
What are the key properties of 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide?
2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 413.47 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 42111358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).