methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate

C14H15NO2S — CID 43155512

IUPACmethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
SMILESCCc1ccc(-c2cc(N)c(C(=O)OC)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-3-9-4-6-10(7-5-9)12-8-11(15)13(18-12)14(16)17-2/h4-8H,3,15H2,1-2H3
InChIKeyYPECXEIJXMSIOH-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.35
Rot. Bonds3

About methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate

methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate (PubChem CID 43155512) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
PubChem CID43155512
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
SMILESCCc1ccc(-c2cc(N)c(C(=O)OC)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-3-9-4-6-10(7-5-9)12-8-11(15)13(18-12)14(16)17-2/h4-8H,3,15H2,1-2H3
InChIKeyYPECXEIJXMSIOH-UHFFFAOYSA-N
XLogP3.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-4-phenylthiophene-3-carboxylate
CID 73242
Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
CID 2777492
Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
CID 674768
Methyl 2-amino-5-phenylthiophene-3-carboxylate
CID 705256
Ethyl 3-Amino-5-(4-Methoxyphenyl)-2-Thiophenecarboxylate
CID 825579
Methyl 3-aminobenzo[b]thiophene-2-carboxylate
CID 874720
Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate
CID 2363668
Ethyl 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate
CID 2393510
Ethyl 2-amino-5-phenylthiophene-3-carboxylate
CID 638860
Methyl 4-amino(2,2'-bithiophene)-5-carboxylate
CID 2736807
Ethyl 2-amino-4-(4-aminophenyl)thiophene-3-carboxylate
CID 60001348

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate (CID 43155512) is methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate is CCc1ccc(-c2cc(N)c(C(=O)OC)s2)cc1.
What is the InChIKey of methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The InChIKey is YPECXEIJXMSIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-9-4-6-10(7-5-9)12-8-11(15)13(18-12)14(16)17-2/h4-8H,3,15H2,1-2H3.
What are the key properties of methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 43155512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).