methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate

C14H15NO3S — CID 83971393

IUPACmethyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C14H15NO3S/c1-8-11(9-4-6-10(17-2)7-5-9)12(15)13(19-8)14(16)18-3/h4-7H,15H2,1-3H3
InChIKeyCZKMMYOAVNENPR-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.10
Rot. Bonds3

About methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate

methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate (PubChem CID 83971393) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
PubChem CID83971393
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C14H15NO3S/c1-8-11(9-4-6-10(17-2)7-5-9)12(15)13(19-8)14(16)18-3/h4-7H,15H2,1-3H3
InChIKeyCZKMMYOAVNENPR-UHFFFAOYSA-N
XLogP3.10
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-2-carboxylate
CID 83971383
methyl 3-amino-5-methyl-4-pyridin-3-ylthiophene-2-carboxylate
CID 83971401
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
methyl 3-amino-4-(4-hydroxyphenyl)-5-phenylthiophene-2-carboxylate
CID 67265008
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene
CID 134832933
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 6539992
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
CID 19064926
methyl 2-amino-4-[4-[(2R)-butan-2-yl]phenyl]-5-methylthiophene-3-carboxylate
CID 903836

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate (CID 83971393) is methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate is COC(=O)c1sc(C)c(-c2ccc(OC)cc2)c1N.
What is the InChIKey of methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate?
The InChIKey is CZKMMYOAVNENPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-8-11(9-4-6-10(17-2)7-5-9)12(15)13(19-8)14(16)18-3/h4-7H,15H2,1-3H3.
What are the key properties of methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate?
methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 83971393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).