methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate

C15H15NO4S2 — CID 25116544

IUPACmethyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C15H15NO4S2/c1-19-10-3-5-11(6-4-10)22-9-13(17)16-12-7-8-21-14(12)15(18)20-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyBCHYXRAOHFXCFX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.27
Rot. Bonds6

About methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate (PubChem CID 25116544) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
PubChem CID25116544
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Namemethyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C15H15NO4S2/c1-19-10-3-5-11(6-4-10)22-9-13(17)16-12-7-8-21-14(12)15(18)20-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyBCHYXRAOHFXCFX-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate (CID 25116544) is methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CSc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate?
The InChIKey is BCHYXRAOHFXCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-19-10-3-5-11(6-4-10)22-9-13(17)16-12-7-8-21-14(12)15(18)20-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 25116544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).