ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate

C15H16ClNO2S — CID 63398785

IUPACethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cccc(Cl)c2)c(CC)c1N
InChIInChI=1S/C15H16ClNO2S/c1-3-11-12(17)14(15(18)19-4-2)20-13(11)9-6-5-7-10(16)8-9/h5-8H,3-4,17H2,1-2H3
InChIKeyLDRCPERQNWKPDB-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.39
Rot. Bonds4

About ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate

ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate (PubChem CID 63398785) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
PubChem CID63398785
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Nameethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cccc(Cl)c2)c(CC)c1N
InChIInChI=1S/C15H16ClNO2S/c1-3-11-12(17)14(15(18)19-4-2)20-13(11)9-6-5-7-10(16)8-9/h5-8H,3-4,17H2,1-2H3
InChIKeyLDRCPERQNWKPDB-UHFFFAOYSA-N
XLogP4.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-5-(3-chloro-4-methylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398955
ethyl 3-amino-5-(3-bromo-4-fluorophenyl)-4-ethylthiophene-2-carboxylate
CID 107955531
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
ethyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398484
methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
CID 61312784
ethyl 3-amino-5-(2,3-dimethylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398787
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 63398439
ethyl 3-amino-5-(2-bromo-3-fluorophenyl)-4-ethylthiophene-2-carboxylate
CID 81499405
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
methyl 3-amino-5-(4-bromo-3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 81295830
methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
CID 61313579

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate (CID 63398785) is ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2cccc(Cl)c2)c(CC)c1N.
What is the InChIKey of ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate?
The InChIKey is LDRCPERQNWKPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-3-11-12(17)14(15(18)19-4-2)20-13(11)9-6-5-7-10(16)8-9/h5-8H,3-4,17H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate?
ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate has a molecular weight of 309.82 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate is sourced from PubChem (CID 63398785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).