N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide

C17H14N2O3S — CID 653038

IUPACN-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Cc1cccs1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H14N2O3S/c20-16(11-14-3-2-10-23-14)18-12-5-7-13(8-6-12)19-17(21)15-4-1-9-22-15/h1-10H,11H2,(H,18,20)(H,19,21)
InChIKeyTUFVIYXNTTYNOK-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.77
Rot. Bonds5

About N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide

N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide (PubChem CID 653038) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide
PubChem CID653038
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Cc1cccs1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H14N2O3S/c20-16(11-14-3-2-10-23-14)18-12-5-7-13(8-6-12)19-17(21)15-4-1-9-22-15/h1-10H,11H2,(H,18,20)(H,19,21)
InChIKeyTUFVIYXNTTYNOK-UHFFFAOYSA-N
XLogP3.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide (CID 653038) is N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide is O=C(Cc1cccs1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is TUFVIYXNTTYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16(11-14-3-2-10-23-14)18-12-5-7-13(8-6-12)19-17(21)15-4-1-9-22-15/h1-10H,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide?
N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 653038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).