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

C21H23N2O4PS — CID 25012170

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide
SMILESCCOP(=O)(OCC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C21H23N2O4PS/c1-3-26-28(25,27-4-2)17-10-7-15(8-11-17)21(24)23-19-14-16(9-12-18(19)22)20-6-5-13-29-20/h5-14H,3-4,22H2,1-2H3,(H,23,24)
InChIKeyINAOTIRHBPFEMW-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.14
Rot. Bonds8

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

N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide (PubChem CID 25012170) has the molecular formula C21H23N2O4PS and a molecular weight of 430.47 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide
PubChem CID25012170
Molecular FormulaC21H23N2O4PS
Molecular Weight430.47 g/mol
Exact Mass430.11
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide
SMILESCCOP(=O)(OCC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C21H23N2O4PS/c1-3-26-28(25,27-4-2)17-10-7-15(8-11-17)21(24)23-19-14-16(9-12-18(19)22)20-6-5-13-29-20/h5-14H,3-4,22H2,1-2H3,(H,23,24)
InChIKeyINAOTIRHBPFEMW-UHFFFAOYSA-N
XLogP5.14
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-diethoxyphosphorylbenzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide (CID 25012170) is N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide is CCOP(=O)(OCC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide?
The InChIKey is INAOTIRHBPFEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N2O4PS/c1-3-26-28(25,27-4-2)17-10-7-15(8-11-17)21(24)23-19-14-16(9-12-18(19)22)20-6-5-13-29-20/h5-14H,3-4,22H2,1-2H3,(H,23,24).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide has a molecular weight of 430.47 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-diethoxyphosphorylbenzamide is sourced from PubChem (CID 25012170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).