N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide

C18H16N2O2S — CID 23648268

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21)
InChIKeyFAGOMVKUBSQNCD-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.26
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide (PubChem CID 23648268) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide
PubChem CID23648268
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21)
InChIKeyFAGOMVKUBSQNCD-UHFFFAOYSA-N
XLogP4.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide (CID 23648268) is N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide?
The InChIKey is FAGOMVKUBSQNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide has a molecular weight of 324.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 23648268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).