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

C15H16ClNO2S — CID 39079161

IUPACethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(CC)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-3-11-12(9-5-7-10(16)8-6-9)13(14(17)20-11)15(18)19-4-2/h5-8H,3-4,17H2,1-2H3
InChIKeyUSWBLSNEVMQVEF-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.39
Rot. Bonds4

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

ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate (PubChem CID 39079161) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate
PubChem CID39079161
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Nameethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(CC)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-3-11-12(9-5-7-10(16)8-6-9)13(14(17)20-11)15(18)19-4-2/h5-8H,3-4,17H2,1-2H3
InChIKeyUSWBLSNEVMQVEF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-5-[[5-amino-3-(4-chlorophenyl)-4-ethoxycarbonylthiophen-2-yl]methyl]-4-(4-chlorophenyl)thiophene-3-carboxylate
CID 167938602
ethyl 2-amino-4,5-bis(4-chlorophenyl)thiophene-3-carboxylate
CID 141288217
ethyl 2-amino-4-(4-chloro-3-methylphenyl)-5-methylthiophene-3-carboxylate
CID 39079141
2-methylpropyl 2-amino-5-ethyl-4-phenylthiophene-3-carboxylate
CID 82056723
ethyl 5-amino-2-(4-chlorophenyl)thieno[2,3-b]thiophene-4-carboxylate
CID 44514941
2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82056734
ethyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate
CID 5180789
ethyl 2-amino-5-[[butyl(methyl)amino]methyl]-4-(4-fluorophenyl)thiophene-3-carboxylate
CID 39079420
ethyl 2-amino-4-(4-methoxy-3-methylphenyl)-5-methylthiophene-3-carboxylate
CID 82028154
ethyl 2-amino-4-(4-butan-2-ylphenyl)-5-methylthiophene-3-carboxylate
CID 3562935
ethyl 3-amino-4-(4-chlorophenyl)-2-cyano-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 144756247
ethyl 2,5-dichloro-4-(4-ethoxycarbonylphenyl)thiophene-3-carboxylate
CID 102280305

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate (CID 39079161) is ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate is CCOC(=O)c1c(N)sc(CC)c1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate?
The InChIKey is USWBLSNEVMQVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-3-11-12(9-5-7-10(16)8-6-9)13(14(17)20-11)15(18)19-4-2/h5-8H,3-4,17H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate?
ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-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 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 39079161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).