methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate

C14H14FNO3S — CID 62918884

IUPACmethyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(OC)c(F)c2)c(C)c1N
InChIInChI=1S/C14H14FNO3S/c1-7-11(16)13(14(17)19-3)20-12(7)8-4-5-10(18-2)9(15)6-8/h4-6H,16H2,1-3H3
InChIKeyONWIVBGZDWZDGN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.24
Rot. Bonds3

About methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate

methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate (PubChem CID 62918884) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate
PubChem CID62918884
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Namemethyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(OC)c(F)c2)c(C)c1N
InChIInChI=1S/C14H14FNO3S/c1-7-11(16)13(14(17)19-3)20-12(7)8-4-5-10(18-2)9(15)6-8/h4-6H,16H2,1-3H3
InChIKeyONWIVBGZDWZDGN-UHFFFAOYSA-N
XLogP3.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate (CID 62918884) is methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccc(OC)c(F)c2)c(C)c1N.
What is the InChIKey of methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate?
The InChIKey is ONWIVBGZDWZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-7-11(16)13(14(17)19-3)20-12(7)8-4-5-10(18-2)9(15)6-8/h4-6H,16H2,1-3H3.
What are the key properties of methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate?
methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(3-fluoro-4-methoxyphenyl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 62918884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).