methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate

C16H19NO4S — CID 92936606

IUPACmethyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate
SMILESCCc1sc(N)c(C(=O)OC)c1-c1cc(OC)ccc1OC
InChIInChI=1S/C16H19NO4S/c1-5-12-13(14(15(17)22-12)16(18)21-4)10-8-9(19-2)6-7-11(10)20-3/h6-8H,5,17H2,1-4H3
InChIKeyUARHHKCACAKZFA-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.36
Rot. Bonds5

About methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate

methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate (PubChem CID 92936606) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate
PubChem CID92936606
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Namemethyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate
SMILESCCc1sc(N)c(C(=O)OC)c1-c1cc(OC)ccc1OC
InChIInChI=1S/C16H19NO4S/c1-5-12-13(14(15(17)22-12)16(18)21-4)10-8-9(19-2)6-7-11(10)20-3/h6-8H,5,17H2,1-4H3
InChIKeyUARHHKCACAKZFA-UHFFFAOYSA-N
XLogP3.36
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,5-diethyl-4-(2-methoxyphenyl)thiophene-3-carboxamide
CID 82056852
methyl 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 39079184
2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine
CID 137354599
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
methyl 2-amino-5-pentyl-4-phenylthiophene-3-carboxylate
CID 71668939
ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate
CID 39079161
3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83034674
2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-[2-oxo-2-(propylamino)acetyl]-1H-pyrrole-3-carboxylate
CID 7616703
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
dimethyl 5-amino-3-[(3-methoxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 7985951

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate (CID 92936606) is methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate is CCc1sc(N)c(C(=O)OC)c1-c1cc(OC)ccc1OC.
What is the InChIKey of methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate?
The InChIKey is UARHHKCACAKZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-5-12-13(14(15(17)22-12)16(18)21-4)10-8-9(19-2)6-7-11(10)20-3/h6-8H,5,17H2,1-4H3.
What are the key properties of methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate?
methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate has a molecular weight of 321.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 92936606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).