methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate

C15H16FNO2S — CID 62347183

IUPACmethyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
SMILESCCc1ccc(C(Nc2ccccc2F)C(=O)OC)s1
InChIInChI=1S/C15H16FNO2S/c1-3-10-8-9-13(20-10)14(15(18)19-2)17-12-7-5-4-6-11(12)16/h4-9,14,17H,3H2,1-2H3
InChIKeyUMPYLWXLQGXLPH-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.78
Rot. Bonds5

About methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate

methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate (PubChem CID 62347183) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
PubChem CID62347183
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Namemethyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
SMILESCCc1ccc(C(Nc2ccccc2F)C(=O)OC)s1
InChIInChI=1S/C15H16FNO2S/c1-3-10-8-9-13(20-10)14(15(18)19-2)17-12-7-5-4-6-11(12)16/h4-9,14,17H,3H2,1-2H3
InChIKeyUMPYLWXLQGXLPH-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62346114
2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347940
2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61347173
methyl 2-(2-fluoroanilino)-2-(3-methylthiophen-2-yl)acetate
CID 61346959
2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid
CID 62345224
methyl 2-(2,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 61001245
methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 60993465
2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid
CID 55062316
2-(4-ethylphenyl)-2-(2-fluoroanilino)acetamide
CID 60997046
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345223
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
CID 114258374
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate?
The IUPAC name of methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate (CID 62347183) is methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate.
What is the SMILES notation for methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate?
The canonical SMILES for methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate is CCc1ccc(C(Nc2ccccc2F)C(=O)OC)s1.
What is the InChIKey of methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate?
The InChIKey is UMPYLWXLQGXLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-3-10-8-9-13(20-10)14(15(18)19-2)17-12-7-5-4-6-11(12)16/h4-9,14,17H,3H2,1-2H3.
What are the key properties of methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate?
methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate has a molecular weight of 293.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate is sourced from PubChem (CID 62347183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).