2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide

C18H16FN3O3S2 — CID 30265604

IUPAC2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCc1ccncc1
InChIInChI=1S/C18H16FN3O3S2/c19-15-4-1-2-5-16(15)22(27(24,25)18-6-3-11-26-18)13-17(23)21-12-14-7-9-20-10-8-14/h1-11H,12-13H2,(H,21,23)
InChIKeyXFFPWWGWRRZXGU-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.79
Rot. Bonds7

About 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 30265604) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID30265604
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCc1ccncc1
InChIInChI=1S/C18H16FN3O3S2/c19-15-4-1-2-5-16(15)22(27(24,25)18-6-3-11-26-18)13-17(23)21-12-14-7-9-20-10-8-14/h1-11H,12-13H2,(H,21,23)
InChIKeyXFFPWWGWRRZXGU-UHFFFAOYSA-N
XLogP2.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265451
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265573
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855
N-(2-benzylsulfanylethyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30263213
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 43901298
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30272230
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30278173
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30302278

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 30265604) is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCc1ccncc1.
What is the InChIKey of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is XFFPWWGWRRZXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c19-15-4-1-2-5-16(15)22(27(24,25)18-6-3-11-26-18)13-17(23)21-12-14-7-9-20-10-8-14/h1-11H,12-13H2,(H,21,23).
What are the key properties of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 30265604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).