ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate

C19H21NO5S — CID 2791252

IUPACethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C1CCCO1
InChIInChI=1S/C19H21NO5S/c1-3-24-19(22)16-14(12-6-8-13(23-2)9-7-12)11-26-18(16)20-17(21)15-5-4-10-25-15/h6-9,11,15H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyWXTKVTFLJRWSHO-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.72
Rot. Bonds6

About ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate

ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 2791252) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
PubChem CID2791252
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Nameethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C1CCCO1
InChIInChI=1S/C19H21NO5S/c1-3-24-19(22)16-14(12-6-8-13(23-2)9-7-12)11-26-18(16)20-17(21)15-5-4-10-25-15/h6-9,11,15H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyWXTKVTFLJRWSHO-UHFFFAOYSA-N
XLogP3.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate (CID 2791252) is ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C1CCCO1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is WXTKVTFLJRWSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-3-24-19(22)16-14(12-6-8-13(23-2)9-7-12)11-26-18(16)20-17(21)15-5-4-10-25-15/h6-9,11,15H,3-5,10H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate?
ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 2791252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).