2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide

C19H14N2O3S — CID 127027945

IUPAC2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1N
InChIInChI=1S/C19H14N2O3S/c20-15-8-11(2-4-14(15)18(21)22)17-6-5-16(25-17)10-1-3-13-12(7-10)9-24-19(13)23/h1-8H,9,20H2,(H2,21,22)
InChIKeyQKGFFSUTXVFZFV-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.43
Rot. Bonds3

About 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide

2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127027945) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127027945
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1N
InChIInChI=1S/C19H14N2O3S/c20-15-8-11(2-4-14(15)18(21)22)17-6-5-16(25-17)10-1-3-13-12(7-10)9-24-19(13)23/h1-8H,9,20H2,(H2,21,22)
InChIKeyQKGFFSUTXVFZFV-UHFFFAOYSA-N
XLogP3.43
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127025716
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029490
N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide
CID 127029798
N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
CID 11148992
5-(1-oxo-3H-2-benzofuran-5-yl)-1-benzothiophene-2-carbaldehyde
CID 89427851
5-naphthalen-1-yl-3H-2-benzofuran-1-one
CID 102047975
5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one
CID 155276243
(Z)-3-(1-oxo-3H-2-benzofuran-5-yl)but-2-enoic acid
CID 169219622
2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid
CID 123913920
5-amino-3H-2-benzofuran-1-one;5-hydrazinyl-3H-2-benzofuran-1-one
CID 118174442
N-hydroxy-1-oxo-3H-2-benzofuran-5-carboximidoyl chloride
CID 150379890
ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67464918

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127027945) is 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is NC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1N.
What is the InChIKey of 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is QKGFFSUTXVFZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c20-15-8-11(2-4-14(15)18(21)22)17-6-5-16(25-17)10-1-3-13-12(7-10)9-24-19(13)23/h1-8H,9,20H2,(H2,21,22).
What are the key properties of 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127027945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).