methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate

C18H18N2O3S — CID 134050299

IUPACmethyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)s1
InChIInChI=1S/C18H18N2O3S/c1-23-18(22)16-8-7-15(24-16)17(21)19-10-4-11-20-12-9-13-5-2-3-6-14(13)20/h2-3,5-9,12H,4,10-11H2,1H3,(H,19,21)
InChIKeyWAHXHTXWORQFIJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.31
Rot. Bonds6

About methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate

methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate (PubChem CID 134050299) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
PubChem CID134050299
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Namemethyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)s1
InChIInChI=1S/C18H18N2O3S/c1-23-18(22)16-8-7-15(24-16)17(21)19-10-4-11-20-12-9-13-5-2-3-6-14(13)20/h2-3,5-9,12H,4,10-11H2,1H3,(H,19,21)
InChIKeyWAHXHTXWORQFIJ-UHFFFAOYSA-N
XLogP3.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate (CID 134050299) is methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)s1.
What is the InChIKey of methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate?
The InChIKey is WAHXHTXWORQFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-18(22)16-8-7-15(24-16)17(21)19-10-4-11-20-12-9-13-5-2-3-6-14(13)20/h2-3,5-9,12H,4,10-11H2,1H3,(H,19,21).
What are the key properties of methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate?
methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 134050299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).