[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium

C24H20N2O3PS+ — CID 68999115

IUPAC[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(Cc2ccccc2[P+](=O)O)cc1
InChIInChI=1S/C24H19N2O3PS/c25-20-12-11-19(23-6-3-13-31-23)15-21(20)26-24(27)17-9-7-16(8-10-17)14-18-4-1-2-5-22(18)30(28)29/h1-13,15H,14,25H2,(H-,26,27,28,29)/p+1
InChIKeyZBJJPGLEONANEX-UHFFFAOYSA-O
MW447.48 g/mol
LogP5.20
Rot. Bonds6

About [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium

[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium (PubChem CID 68999115) has the molecular formula C24H20N2O3PS+ and a molecular weight of 447.48 g/mol. Its IUPAC name is [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium
PubChem CID68999115
Molecular FormulaC24H20N2O3PS+
Molecular Weight447.48 g/mol
Exact Mass447.09
IUPAC Name[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(Cc2ccccc2[P+](=O)O)cc1
InChIInChI=1S/C24H19N2O3PS/c25-20-12-11-19(23-6-3-13-31-23)15-21(20)26-24(27)17-9-7-16(8-10-17)14-18-4-1-2-5-22(18)30(28)29/h1-13,15H,14,25H2,(H-,26,27,28,29)/p+1
InChIKeyZBJJPGLEONANEX-UHFFFAOYSA-O
XLogP5.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 88928326
CID 88928326
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 88928300
CID 88928300
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium
CID 69091409
2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]-N,N'-dibenzylpropanediamide
CID 67279472
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
4-[2-amino-3-(ethylamino)-3-oxopropyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 76625451
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide
CID 58283988
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium?
The IUPAC name of [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium (CID 68999115) is [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium?
The canonical SMILES for [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(Cc2ccccc2[P+](=O)O)cc1.
What is the InChIKey of [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium?
The InChIKey is ZBJJPGLEONANEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H19N2O3PS/c25-20-12-11-19(23-6-3-13-31-23)15-21(20)26-24(27)17-9-7-16(8-10-17)14-18-4-1-2-5-22(18)30(28)29/h1-13,15H,14,25H2,(H-,26,27,28,29)/p+1.
What are the key properties of [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium?
[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium has a molecular weight of 447.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 68999115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).