methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate

C15H15NO5S — CID 897602

IUPACmethyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H15NO5S/c1-19-9-4-5-10(12(8-9)20-2)14(17)16-11-6-7-22-13(11)15(18)21-3/h4-8H,1-3H3,(H,16,17)
InChIKeyVGZCSROFTUEUEU-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.80
Rot. Bonds5

About methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate

methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate (PubChem CID 897602) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate
PubChem CID897602
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Namemethyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H15NO5S/c1-19-9-4-5-10(12(8-9)20-2)14(17)16-11-6-7-22-13(11)15(18)21-3/h4-8H,1-3H3,(H,16,17)
InChIKeyVGZCSROFTUEUEU-UHFFFAOYSA-N
XLogP2.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
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 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate (CID 897602) is methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is VGZCSROFTUEUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-19-9-4-5-10(12(8-9)20-2)14(17)16-11-6-7-22-13(11)15(18)21-3/h4-8H,1-3H3,(H,16,17).
What are the key properties of methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 321.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dimethoxybenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 897602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).