N-[benzamido(thiophen-2-yl)methyl]benzamide

C19H16N2O2S — CID 4500023

IUPACN-[benzamido(thiophen-2-yl)methyl]benzamide
SMILESO=C(NC(NC(=O)c1ccccc1)c1cccs1)c1ccccc1
InChIInChI=1S/C19H16N2O2S/c22-18(14-8-3-1-4-9-14)20-17(16-12-7-13-24-16)21-19(23)15-10-5-2-6-11-15/h1-13,17H,(H,20,22)(H,21,23)
InChIKeyLJYPAXYAFVHGCU-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.61
Rot. Bonds5

About N-[benzamido(thiophen-2-yl)methyl]benzamide

N-[benzamido(thiophen-2-yl)methyl]benzamide (PubChem CID 4500023) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[benzamido(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[benzamido(thiophen-2-yl)methyl]benzamide
PubChem CID4500023
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[benzamido(thiophen-2-yl)methyl]benzamide
SMILESO=C(NC(NC(=O)c1ccccc1)c1cccs1)c1ccccc1
InChIInChI=1S/C19H16N2O2S/c22-18(14-8-3-1-4-9-14)20-17(16-12-7-13-24-16)21-19(23)15-10-5-2-6-11-15/h1-13,17H,(H,20,22)(H,21,23)
InChIKeyLJYPAXYAFVHGCU-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[benzamido(thiophen-2-yl)methyl]benzamide?
The IUPAC name of N-[benzamido(thiophen-2-yl)methyl]benzamide (CID 4500023) is N-[benzamido(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-[benzamido(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-[benzamido(thiophen-2-yl)methyl]benzamide is O=C(NC(NC(=O)c1ccccc1)c1cccs1)c1ccccc1.
What is the InChIKey of N-[benzamido(thiophen-2-yl)methyl]benzamide?
The InChIKey is LJYPAXYAFVHGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(14-8-3-1-4-9-14)20-17(16-12-7-13-24-16)21-19(23)15-10-5-2-6-11-15/h1-13,17H,(H,20,22)(H,21,23).
What are the key properties of N-[benzamido(thiophen-2-yl)methyl]benzamide?
N-[benzamido(thiophen-2-yl)methyl]benzamide has a molecular weight of 336.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzamido(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 4500023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).