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

C15H17NO3S — CID 22257964

IUPACethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(OC)cc2)sc1N
InChIInChI=1S/C15H17NO3S/c1-3-19-15(17)13-9-12(20-14(13)16)8-10-4-6-11(18-2)7-5-10/h4-7,9H,3,8,16H2,1-2H3
InChIKeyQRJHLBWJRHRMRX-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.11
Rot. Bonds5

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

ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate (PubChem CID 22257964) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
PubChem CID22257964
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(OC)cc2)sc1N
InChIInChI=1S/C15H17NO3S/c1-3-19-15(17)13-9-12(20-14(13)16)8-10-4-6-11(18-2)7-5-10/h4-7,9H,3,8,16H2,1-2H3
InChIKeyQRJHLBWJRHRMRX-UHFFFAOYSA-N
XLogP3.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate (CID 22257964) is ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate is CCOC(=O)c1cc(Cc2ccc(OC)cc2)sc1N.
What is the InChIKey of ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate?
The InChIKey is QRJHLBWJRHRMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-19-15(17)13-9-12(20-14(13)16)8-10-4-6-11(18-2)7-5-10/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate?
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate is sourced from PubChem (CID 22257964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).