ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate

C15H17NO2S — CID 82366459

IUPACethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1csc(N)c1-c1ccc(C)cc1C
InChIInChI=1S/C15H17NO2S/c1-4-18-15(17)12-8-19-14(16)13(12)11-6-5-9(2)7-10(11)3/h5-8H,4,16H2,1-3H3
InChIKeyHACSFDQZSRBBCK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.79
Rot. Bonds3

About ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate

ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate (PubChem CID 82366459) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
PubChem CID82366459
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nameethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1csc(N)c1-c1ccc(C)cc1C
InChIInChI=1S/C15H17NO2S/c1-4-18-15(17)12-8-19-14(16)13(12)11-6-5-9(2)7-10(11)3/h5-8H,4,16H2,1-3H3
InChIKeyHACSFDQZSRBBCK-UHFFFAOYSA-N
XLogP3.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
diethyl 2-ethoxy-4,6-dimethylazulene-1,3-dicarboxylate
CID 141346791
ethyl 4-(2,4-dimethylphenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 35569953
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 4-(2,4-dimethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate
CID 19220251
ethyl 4-(2,4-dimethylphenyl)-2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 19210864
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 7597005
ethyl 2-amino-3,5-dichlorobenzoate
CID 15087809
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
trans-(1S,2S)-2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1008985
ethyl 4-(2,4-dimethylphenyl)-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate
CID 19220319
trans-(1R,2R)-2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1008984

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate (CID 82366459) is ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate is CCOC(=O)c1csc(N)c1-c1ccc(C)cc1C.
What is the InChIKey of ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
The InChIKey is HACSFDQZSRBBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-18-15(17)12-8-19-14(16)13(12)11-6-5-9(2)7-10(11)3/h5-8H,4,16H2,1-3H3.
What are the key properties of ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 82366459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).