2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate

C14H15NO3S — CID 65446877

IUPAC2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate
SMILESCOc1ccc(CCOC(=O)c2sccc2N)cc1
InChIInChI=1S/C14H15NO3S/c1-17-11-4-2-10(3-5-11)6-8-18-14(16)13-12(15)7-9-19-13/h2-5,7,9H,6,8,15H2,1H3
InChIKeyJSLDWRBKLOEJLK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate

2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate (PubChem CID 65446877) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate
PubChem CID65446877
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate
SMILESCOc1ccc(CCOC(=O)c2sccc2N)cc1
InChIInChI=1S/C14H15NO3S/c1-17-11-4-2-10(3-5-11)6-8-18-14(16)13-12(15)7-9-19-13/h2-5,7,9H,6,8,15H2,1H3
InChIKeyJSLDWRBKLOEJLK-UHFFFAOYSA-N
XLogP2.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
CID 63263035
(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate
CID 61316606
2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660295
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
2-propylsulfonylethyl 3-aminothiophene-2-carboxylate
CID 106728784
2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate
CID 106728783
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807591
2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
CID 46819126
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
2-(4-methoxyphenyl)ethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841176
2-(4-methoxyphenyl)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492077
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate (CID 65446877) is 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate is COc1ccc(CCOC(=O)c2sccc2N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate?
The InChIKey is JSLDWRBKLOEJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-17-11-4-2-10(3-5-11)6-8-18-14(16)13-12(15)7-9-19-13/h2-5,7,9H,6,8,15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate?
2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 65446877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).