2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide

C15H12N2O3S — CID 54580171

IUPAC2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1coc2ccccc12
InChIInChI=1S/C15H12N2O3S/c16-14(19)11-5-6-21-15(11)17-13(18)7-9-8-20-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
InChIKeyAHRGTMBUCPEHGY-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.77
Rot. Bonds4

About 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 54580171) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID54580171
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1coc2ccccc12
InChIInChI=1S/C15H12N2O3S/c16-14(19)11-5-6-21-15(11)17-13(18)7-9-8-20-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
InChIKeyAHRGTMBUCPEHGY-UHFFFAOYSA-N
XLogP2.77
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide (CID 54580171) is 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1coc2ccccc12.
What is the InChIKey of 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is AHRGTMBUCPEHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c16-14(19)11-5-6-21-15(11)17-13(18)7-9-8-20-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 54580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).