[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium

C24H20N2O3PS+ — CID 69000270

IUPAC[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1cccc(CO[P+](=O)c2ccccc2)c1
InChIInChI=1S/C24H19N2O3PS/c25-21-12-11-18(23-10-5-13-31-23)15-22(21)26-24(27)19-7-4-6-17(14-19)16-29-30(28)20-8-2-1-3-9-20/h1-15H,16,25H2/p+1
InChIKeyCFJXIFDPYOPSCK-UHFFFAOYSA-O
MW447.48 g/mol
LogP5.83
Rot. Bonds7

About [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium

[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium (PubChem CID 69000270) has the molecular formula C24H20N2O3PS+ and a molecular weight of 447.48 g/mol. Its IUPAC name is [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium.

Molecular Properties

Compound Name[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium
PubChem CID69000270
Molecular FormulaC24H20N2O3PS+
Molecular Weight447.48 g/mol
Exact Mass447.09
IUPAC Name[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1cccc(CO[P+](=O)c2ccccc2)c1
InChIInChI=1S/C24H19N2O3PS/c25-21-12-11-18(23-10-5-13-31-23)15-22(21)26-24(27)19-7-4-6-17(14-19)16-29-30(28)20-8-2-1-3-9-20/h1-15H,16,25H2/p+1
InChIKeyCFJXIFDPYOPSCK-UHFFFAOYSA-O
XLogP5.83
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 55.83
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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Related Compounds

bis[[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy]-oxophosphanium
CID 69000333
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium
CID 69091409
N-(2-amino-5-thiophen-2-ylphenyl)-3-[[ethoxy(ethyl)phosphoryl]oxymethyl]benzamide
CID 91550414
CID 88928300
CID 88928300
N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide
CID 143614082
[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
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817

Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium?
The IUPAC name of [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium (CID 69000270) is [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium.
What is the SMILES notation for [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium?
The canonical SMILES for [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium is Nc1ccc(-c2cccs2)cc1NC(=O)c1cccc(CO[P+](=O)c2ccccc2)c1.
What is the InChIKey of [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium?
The InChIKey is CFJXIFDPYOPSCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H19N2O3PS/c25-21-12-11-18(23-10-5-13-31-23)15-22(21)26-24(27)19-7-4-6-17(14-19)16-29-30(28)20-8-2-1-3-9-20/h1-15H,16,25H2/p+1.
What are the key properties of [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium?
[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium has a molecular weight of 447.48 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium is sourced from PubChem (CID 69000270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).