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

C16H19NO2S — CID 53371843

IUPACpropyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
SMILESCCCOC(=O)c1sc(-c2ccc(CC)cc2)cc1N
InChIInChI=1S/C16H19NO2S/c1-3-9-19-16(18)15-13(17)10-14(20-15)12-7-5-11(4-2)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3
InChIKeyNDVACWUXLDEURZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.13
Rot. Bonds5

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

propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate (PubChem CID 53371843) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
PubChem CID53371843
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Namepropyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate
SMILESCCCOC(=O)c1sc(-c2ccc(CC)cc2)cc1N
InChIInChI=1S/C16H19NO2S/c1-3-9-19-16(18)15-13(17)10-14(20-15)12-7-5-11(4-2)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3
InChIKeyNDVACWUXLDEURZ-UHFFFAOYSA-N
XLogP4.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.13
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 propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The IUPAC name of propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate (CID 53371843) is propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The canonical SMILES for propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate is CCCOC(=O)c1sc(-c2ccc(CC)cc2)cc1N.
What is the InChIKey of propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
The InChIKey is NDVACWUXLDEURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-9-19-16(18)15-13(17)10-14(20-15)12-7-5-11(4-2)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3.
What are the key properties of propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate?
propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-amino-5-(4-ethylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 53371843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).