N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide

C25H23N2O3PS — CID 25012495

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide
SMILESCCOP(=O)(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C25H23N2O3PS/c1-2-30-31(29,20-7-4-3-5-8-20)21-13-10-18(11-14-21)25(28)27-23-17-19(12-15-22(23)26)24-9-6-16-32-24/h3-17H,2,26H2,1H3,(H,27,28)
InChIKeyCERSBPFQTQSOCX-UHFFFAOYSA-N
MW462.51 g/mol
LogP5.51
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide (PubChem CID 25012495) has the molecular formula C25H23N2O3PS and a molecular weight of 462.51 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide
PubChem CID25012495
Molecular FormulaC25H23N2O3PS
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide
SMILESCCOP(=O)(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C25H23N2O3PS/c1-2-30-31(29,20-7-4-3-5-8-20)21-13-10-18(11-14-21)25(28)27-23-17-19(12-15-22(23)26)24-9-6-16-32-24/h3-17H,2,26H2,1H3,(H,27,28)
InChIKeyCERSBPFQTQSOCX-UHFFFAOYSA-N
XLogP5.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide (CID 25012495) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide is CCOP(=O)(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide?
The InChIKey is CERSBPFQTQSOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O3PS/c1-2-30-31(29,20-7-4-3-5-8-20)21-13-10-18(11-14-21)25(28)27-23-17-19(12-15-22(23)26)24-9-6-16-32-24/h3-17H,2,26H2,1H3,(H,27,28).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide has a molecular weight of 462.51 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-[ethoxy(phenyl)phosphoryl]benzamide is sourced from PubChem (CID 25012495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).