ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate

C16H19NO2S — CID 63399043

IUPACethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)c(C(C)C)c1N
InChIInChI=1S/C16H19NO2S/c1-4-19-16(18)15-13(17)12(10(2)3)14(20-15)11-8-6-5-7-9-11/h5-10H,4,17H2,1-3H3
InChIKeyODXGQKDJCCSYAS-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.30
Rot. Bonds4

About ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate

ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate (PubChem CID 63399043) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate
PubChem CID63399043
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Nameethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)c(C(C)C)c1N
InChIInChI=1S/C16H19NO2S/c1-4-19-16(18)15-13(17)12(10(2)3)14(20-15)11-8-6-5-7-9-11/h5-10H,4,17H2,1-3H3
InChIKeyODXGQKDJCCSYAS-UHFFFAOYSA-N
XLogP4.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate
CID 63398487
methyl 3-amino-5-(3,4-dimethylphenyl)-4-propan-2-ylthiophene-2-carboxylate
CID 63398962
ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
CID 19064926
methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
CID 61312784
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate
CID 63398662
2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
ethyl 4,7-dioxo-3-phenyl-1-benzothiophene-2-carboxylate
CID 11483776
3-amino-4-propan-2-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 140607660
ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398785
diethyl 5-amino-3-propan-2-ylthiophene-2,4-dicarboxylate
CID 42656877

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate (CID 63399043) is ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)c(C(C)C)c1N.
What is the InChIKey of ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate?
The InChIKey is ODXGQKDJCCSYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-19-16(18)15-13(17)12(10(2)3)14(20-15)11-8-6-5-7-9-11/h5-10H,4,17H2,1-3H3.
What are the key properties of ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate?
ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 4.30, 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-phenyl-4-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 63399043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).