methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

C14H15NO3S2 — CID 1245885

IUPACmethyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C
InChIInChI=1S/C14H15NO3S2/c1-8-9(2)20-13(12(8)14(17)18-3)15-11(16)7-10-5-4-6-19-10/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyBQUWADWFOWEFFF-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.39
Rot. Bonds4

About methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 1245885) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID1245885
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Namemethyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C
InChIInChI=1S/C14H15NO3S2/c1-8-9(2)20-13(12(8)14(17)18-3)15-11(16)7-10-5-4-6-19-10/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyBQUWADWFOWEFFF-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (CID 1245885) is methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is BQUWADWFOWEFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-8-9(2)20-13(12(8)14(17)18-3)15-11(16)7-10-5-4-6-19-10/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1245885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).