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

C24H21N2O3PS — CID 25012335

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide
SMILESCOP(=O)(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C24H21N2O3PS/c1-29-30(28,19-6-3-2-4-7-19)20-12-9-17(10-13-20)24(27)26-22-16-18(11-14-21(22)25)23-8-5-15-31-23/h2-16H,25H2,1H3,(H,26,27)
InChIKeyKDDZFAMHBWRFCE-UHFFFAOYSA-N
MW448.48 g/mol
LogP5.12
Rot. Bonds6

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

N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide (PubChem CID 25012335) has the molecular formula C24H21N2O3PS and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide
PubChem CID25012335
Molecular FormulaC24H21N2O3PS
Molecular Weight448.48 g/mol
Exact Mass448.10
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide
SMILESCOP(=O)(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C24H21N2O3PS/c1-29-30(28,19-6-3-2-4-7-19)20-12-9-17(10-13-20)24(27)26-22-16-18(11-14-21(22)25)23-8-5-15-31-23/h2-16H,25H2,1H3,(H,26,27)
InChIKeyKDDZFAMHBWRFCE-UHFFFAOYSA-N
XLogP5.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 55.12
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-[methoxy(phenyl)phosphoryl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide (CID 25012335) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide is COP(=O)(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide?
The InChIKey is KDDZFAMHBWRFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2O3PS/c1-29-30(28,19-6-3-2-4-7-19)20-12-9-17(10-13-20)24(27)26-22-16-18(11-14-21(22)25)23-8-5-15-31-23/h2-16H,25H2,1H3,(H,26,27).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[methoxy(phenyl)phosphoryl]benzamide has a molecular weight of 448.48 g/mol, XLogP of 5.12, 6 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-[methoxy(phenyl)phosphoryl]benzamide is sourced from PubChem (CID 25012335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).