2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide

C19H14N2O3S — CID 17402583

IUPAC2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C19H14N2O3S/c20-18(23)14-7-8-25-19(14)21-16(22)9-12-10-24-15-6-5-11-3-1-2-4-13(11)17(12)15/h1-8,10H,9H2,(H2,20,23)(H,21,22)
InChIKeyXRGZUJZMRVOQHM-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.93
Rot. Bonds4

About 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide

2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide (PubChem CID 17402583) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide
PubChem CID17402583
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C19H14N2O3S/c20-18(23)14-7-8-25-19(14)21-16(22)9-12-10-24-15-6-5-11-3-1-2-4-13(11)17(12)15/h1-8,10H,9H2,(H2,20,23)(H,21,22)
InChIKeyXRGZUJZMRVOQHM-UHFFFAOYSA-N
XLogP3.93
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide (CID 17402583) is 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide?
The InChIKey is XRGZUJZMRVOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c20-18(23)14-7-8-25-19(14)21-16(22)9-12-10-24-15-6-5-11-3-1-2-4-13(11)17(12)15/h1-8,10H,9H2,(H2,20,23)(H,21,22).
What are the key properties of 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide?
2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 17402583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).