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

C15H16FNO3S — CID 62920079

IUPACmethyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate
SMILESCCc1c(-c2ccc(OC)c(F)c2)sc(C(=O)OC)c1N
InChIInChI=1S/C15H16FNO3S/c1-4-9-12(17)14(15(18)20-3)21-13(9)8-5-6-11(19-2)10(16)7-8/h5-7H,4,17H2,1-3H3
InChIKeyPNKOPNASXFTYBR-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.49
Rot. Bonds4

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

methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate (PubChem CID 62920079) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate
PubChem CID62920079
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Namemethyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate
SMILESCCc1c(-c2ccc(OC)c(F)c2)sc(C(=O)OC)c1N
InChIInChI=1S/C15H16FNO3S/c1-4-9-12(17)14(15(18)20-3)21-13(9)8-5-6-11(19-2)10(16)7-8/h5-7H,4,17H2,1-3H3
InChIKeyPNKOPNASXFTYBR-UHFFFAOYSA-N
XLogP3.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate (CID 62920079) is methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate is CCc1c(-c2ccc(OC)c(F)c2)sc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate?
The InChIKey is PNKOPNASXFTYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-4-9-12(17)14(15(18)20-3)21-13(9)8-5-6-11(19-2)10(16)7-8/h5-7H,4,17H2,1-3H3.
What are the key properties of methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate?
methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate has a molecular weight of 309.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-ethyl-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 62920079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).