[5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium

C19H19NO4P2S+2 — CID 6331734

IUPAC[5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1ccc(C(NC(c2ccccc2)c2ccccc2)[P+](=O)O)s1
InChIInChI=1S/C19H17NO4P2S/c21-25(22)13-16-11-12-17(27-16)19(26(23)24)20-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18-20H,13H2/p+2
InChIKeyUZPYECHTWGTNLD-UHFFFAOYSA-P
MW419.38 g/mol
LogP5.10
Rot. Bonds8

About [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium

[5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium (PubChem CID 6331734) has the molecular formula C19H19NO4P2S+2 and a molecular weight of 419.38 g/mol. Its IUPAC name is [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium
PubChem CID6331734
Molecular FormulaC19H19NO4P2S+2
Molecular Weight419.38 g/mol
Exact Mass419.05
IUPAC Name[5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1ccc(C(NC(c2ccccc2)c2ccccc2)[P+](=O)O)s1
InChIInChI=1S/C19H17NO4P2S/c21-25(22)13-16-11-12-17(27-16)19(26(23)24)20-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18-20H,13H2/p+2
InChIKeyUZPYECHTWGTNLD-UHFFFAOYSA-P
XLogP5.10
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.38
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-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

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]ethanesulfonamide
CID 121134216
[2-(benzhydrylamino)phenyl]methyl-hydroxy-oxophosphanium
CID 22462158
1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134396
hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium
CID 139247816
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
[(5-ethylthiophen-2-yl)-phenylmethyl]hydrazine
CID 105282884
4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 121134203
2-benzhydryl-5-ethylthiophene
CID 177490577
2-cyclopentyl-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
CID 99882758
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-phenylbutanamide
CID 121134118
N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
CID 121134301

Frequently Asked Questions

What is the IUPAC name of [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium?
The IUPAC name of [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium (CID 6331734) is [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium.
What is the SMILES notation for [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium?
The canonical SMILES for [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium is O=[P+](O)Cc1ccc(C(NC(c2ccccc2)c2ccccc2)[P+](=O)O)s1.
What is the InChIKey of [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium?
The InChIKey is UZPYECHTWGTNLD-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H17NO4P2S/c21-25(22)13-16-11-12-17(27-16)19(26(23)24)20-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18-20H,13H2/p+2.
What are the key properties of [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium?
[5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium has a molecular weight of 419.38 g/mol, XLogP of 5.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(benzhydrylamino)-[hydroxy(oxo)phosphaniumyl]methyl]thiophen-2-yl]methyl-hydroxy-oxophosphanium is sourced from PubChem (CID 6331734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).