[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium

C24H19FN2O3PS+ — CID 69091409

IUPAC[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CO[P+](=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18FN2O3PS/c25-19-8-10-20(11-9-19)31(29)30-15-16-3-5-17(6-4-16)24(28)27-22-14-18(7-12-21(22)26)23-2-1-13-32-23/h1-14H,15,26H2/p+1
InChIKeyYCWIWZGHKZIGIM-UHFFFAOYSA-O
MW465.47 g/mol
LogP5.97
Rot. Bonds7

About [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium

[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium (PubChem CID 69091409) has the molecular formula C24H19FN2O3PS+ and a molecular weight of 465.47 g/mol. Its IUPAC name is [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium.

Molecular Properties

Compound Name[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium
PubChem CID69091409
Molecular FormulaC24H19FN2O3PS+
Molecular Weight465.47 g/mol
Exact Mass465.08
IUPAC Name[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CO[P+](=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18FN2O3PS/c25-19-8-10-20(11-9-19)31(29)30-15-16-3-5-17(6-4-16)24(28)27-22-14-18(7-12-21(22)26)23-2-1-13-32-23/h1-14H,15,26H2/p+1
InChIKeyYCWIWZGHKZIGIM-UHFFFAOYSA-O
XLogP5.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 55.97
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'}

Analyze [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium
CID 69000270
CID 88928300
CID 88928300
bis[[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy]-oxophosphanium
CID 69000333
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789
CID 88928326
CID 88928326
[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium
CID 68999115
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
[3-amino-1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-3-oxopropoxy]-oxo-phenylphosphanium
CID 69041792
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
propyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25156236
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium?
The IUPAC name of [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium (CID 69091409) is [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium.
What is the SMILES notation for [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium?
The canonical SMILES for [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CO[P+](=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium?
The InChIKey is YCWIWZGHKZIGIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H18FN2O3PS/c25-19-8-10-20(11-9-19)31(29)30-15-16-3-5-17(6-4-16)24(28)27-22-14-18(7-12-21(22)26)23-2-1-13-32-23/h1-14H,15,26H2/p+1.
What are the key properties of [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium?
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium has a molecular weight of 465.47 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium is sourced from PubChem (CID 69091409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).