methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate

C15H15NO3S — CID 38770261

IUPACmethyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C15H15NO3S/c1-19-15(18)13-8-7-12(20-13)14(17)16-10-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyZIWQOTFJWIUCRF-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.51
Rot. Bonds5

About methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate

methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate (PubChem CID 38770261) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate
PubChem CID38770261
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C15H15NO3S/c1-19-15(18)13-8-7-12(20-13)14(17)16-10-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyZIWQOTFJWIUCRF-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(2-phenylethylcarbamoyl)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 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate (CID 38770261) is methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NCCc2ccccc2)s1.
What is the InChIKey of methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate?
The InChIKey is ZIWQOTFJWIUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-15(18)13-8-7-12(20-13)14(17)16-10-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate?
methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 38770261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).