methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

C14H15NO4S — CID 874645

IUPACmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N
InChIInChI=1S/C14H15NO4S/c1-17-10-5-4-8(6-11(10)18-2)9-7-20-13(15)12(9)14(16)19-3/h4-7H,15H2,1-3H3
InChIKeyZUSQWNRHCGOMKZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.80
Rot. Bonds4

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

methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (PubChem CID 874645) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
PubChem CID874645
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Namemethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N
InChIInChI=1S/C14H15NO4S/c1-17-10-5-4-8(6-11(10)18-2)9-7-20-13(15)12(9)14(16)19-3/h4-7H,15H2,1-3H3
InChIKeyZUSQWNRHCGOMKZ-UHFFFAOYSA-N
XLogP2.80
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CID 874645) is methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N.
What is the InChIKey of methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The InChIKey is ZUSQWNRHCGOMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-17-10-5-4-8(6-11(10)18-2)9-7-20-13(15)12(9)14(16)19-3/h4-7H,15H2,1-3H3.
What are the key properties of methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 874645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).