methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate

C14H13NO3S — CID 976662

IUPACmethyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO3S/c1-18-13(16)9-10-4-6-11(7-5-10)15-14(17)12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,17)
InChIKeyZXFMMERKQCFKHI-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.72
Rot. Bonds4

About methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate

methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate (PubChem CID 976662) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate
PubChem CID976662
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Namemethyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO3S/c1-18-13(16)9-10-4-6-11(7-5-10)15-14(17)12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,17)
InChIKeyZXFMMERKQCFKHI-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate 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 2-[4-(thiophene-2-carbonylamino)phenyl]acetate?
The IUPAC name of methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate (CID 976662) is methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate is COC(=O)Cc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate?
The InChIKey is ZXFMMERKQCFKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-13(16)9-10-4-6-11(7-5-10)15-14(17)12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate?
methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate has a molecular weight of 275.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(thiophene-2-carbonylamino)phenyl]acetate is sourced from PubChem (CID 976662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).