methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate

C15H17NO2S — CID 118053542

IUPACmethyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(CCc2ccc(C)cc2)sc1N
InChIInChI=1S/C15H17NO2S/c1-10-3-5-11(6-4-10)7-8-12-9-13(14(16)19-12)15(17)18-2/h3-6,9H,7-8,16H2,1-2H3
InChIKeyGGGJNKQVFYMHDR-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.21
Rot. Bonds4

About methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate

methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate (PubChem CID 118053542) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate
PubChem CID118053542
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(CCc2ccc(C)cc2)sc1N
InChIInChI=1S/C15H17NO2S/c1-10-3-5-11(6-4-10)7-8-12-9-13(14(16)19-12)15(17)18-2/h3-6,9H,7-8,16H2,1-2H3
InChIKeyGGGJNKQVFYMHDR-UHFFFAOYSA-N
XLogP3.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate
CID 118053540
methyl 2-amino-5-octylthiophene-3-carboxylate
CID 72704993
methyl 2-amino-5-[(4-ethylphenyl)sulfanylmethyl]thiophene-3-carboxylate
CID 72705563
methyl 5-[2-(4-methoxyphenyl)ethyl]-2-(methylamino)thiophene-3-carboxylate
CID 72704418
[2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 54587503
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964
dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419
methyl 4-[(5-amino-4-methylthiophen-2-yl)methyl]benzoate
CID 58930448
methyl 5-amino-2-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 61305683
methyl 2-amino-5-(octylsulfanylmethyl)thiophene-3-carboxylate
CID 72705372
methyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737610
methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate
CID 134241403

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate (CID 118053542) is methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate is COC(=O)c1cc(CCc2ccc(C)cc2)sc1N.
What is the InChIKey of methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate?
The InChIKey is GGGJNKQVFYMHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-3-5-11(6-4-10)7-8-12-9-13(14(16)19-12)15(17)18-2/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate?
methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate is sourced from PubChem (CID 118053542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).