2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid

C14H14FNO2S — CID 62345224

IUPAC2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid
SMILESCCc1ccc(C(Nc2ccc(F)cc2)C(=O)O)s1
InChIInChI=1S/C14H14FNO2S/c1-2-11-7-8-12(19-11)13(14(17)18)16-10-5-3-9(15)4-6-10/h3-8,13,16H,2H2,1H3,(H,17,18)
InChIKeyUYNCDAZSHNWYNR-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.69
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid

2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid (PubChem CID 62345224) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid
PubChem CID62345224
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid
SMILESCCc1ccc(C(Nc2ccc(F)cc2)C(=O)O)s1
InChIInChI=1S/C14H14FNO2S/c1-2-11-7-8-12(19-11)13(14(17)18)16-10-5-3-9(15)4-6-10/h3-8,13,16H,2H2,1H3,(H,17,18)
InChIKeyUYNCDAZSHNWYNR-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid
CID 55062316
2-(5-ethylthiophen-2-yl)-2-(3-fluoroanilino)acetic acid
CID 62346648
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 55062413
4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
CID 62347183
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345223
3-ethyl-2-(4-fluoroanilino)pentanoic acid
CID 61317713
2-[chloro-(4-fluorophenyl)methyl]-5-ethylthiophene
CID 63431184
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid (CID 62345224) is 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid is CCc1ccc(C(Nc2ccc(F)cc2)C(=O)O)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid?
The InChIKey is UYNCDAZSHNWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-2-11-7-8-12(19-11)13(14(17)18)16-10-5-3-9(15)4-6-10/h3-8,13,16H,2H2,1H3,(H,17,18).
What are the key properties of 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid?
2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid has a molecular weight of 279.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid is sourced from PubChem (CID 62345224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).