methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate

C15H15NO3S — CID 3332875

IUPACmethyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C15H15NO3S/c1-19-15(18)12-9-10-20-14(12)16-13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyMTQVMVKSXBFESI-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.11
Rot. Bonds5

About methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate

methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate (PubChem CID 3332875) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate
PubChem CID3332875
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C15H15NO3S/c1-19-15(18)12-9-10-20-14(12)16-13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyMTQVMVKSXBFESI-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate (CID 3332875) is methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)CCc1ccccc1.
What is the InChIKey of methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate?
The InChIKey is MTQVMVKSXBFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-15(18)12-9-10-20-14(12)16-13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17).
What are the key properties of methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate?
methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylpropanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 3332875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).