[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium

C14H16FN2OS+ — CID 9054520

IUPAC[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1ccccc1F)Cc1ccsc1
InChIInChI=1S/C14H15FN2OS/c1-17(8-11-6-7-19-10-11)9-14(18)16-13-5-3-2-4-12(13)15/h2-7,10H,8-9H2,1H3,(H,16,18)/p+1
InChIKeyHNZYTMYXGBLHCE-UHFFFAOYSA-O
MW279.36 g/mol
LogP1.54
Rot. Bonds5

About [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium

[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium (PubChem CID 9054520) has the molecular formula C14H16FN2OS+ and a molecular weight of 279.36 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
PubChem CID9054520
Molecular FormulaC14H16FN2OS+
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1ccccc1F)Cc1ccsc1
InChIInChI=1S/C14H15FN2OS/c1-17(8-11-6-7-19-10-11)9-14(18)16-13-5-3-2-4-12(13)15/h2-7,10H,8-9H2,1H3,(H,16,18)/p+1
InChIKeyHNZYTMYXGBLHCE-UHFFFAOYSA-O
XLogP1.54
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium
CID 9054362
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054944
[2-(2-fluoroanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054039
[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054460
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434510
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054938
benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
CID 8541486
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium (CID 9054520) is [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium is C[NH+](CC(=O)Nc1ccccc1F)Cc1ccsc1.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The InChIKey is HNZYTMYXGBLHCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15FN2OS/c1-17(8-11-6-7-19-10-11)9-14(18)16-13-5-3-2-4-12(13)15/h2-7,10H,8-9H2,1H3,(H,16,18)/p+1.
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium has a molecular weight of 279.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium is sourced from PubChem (CID 9054520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).