CID 88928326

C19H17N2O2PS — CID 88928326

IUPAC—
SMILESC=[P+]([O-])Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H17N2O2PS/c1-24(23)12-13-4-6-14(7-5-13)19(22)21-17-11-15(8-9-16(17)20)18-3-2-10-25-18/h2-11H,1,12,20H2,(H,21,22)
InChIKeyLFXRMOUIXDSIRJ-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.94
Rot. Bonds5

About CID 88928326

CID 88928326 (PubChem CID 88928326) has the molecular formula C19H17N2O2PS and a molecular weight of 368.40 g/mol.

Molecular Properties

Compound NameCID 88928326
PubChem CID88928326
Molecular FormulaC19H17N2O2PS
Molecular Weight368.40 g/mol
Exact Mass368.07
IUPAC Name—
SMILESC=[P+]([O-])Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H17N2O2PS/c1-24(23)12-13-4-6-14(7-5-13)19(22)21-17-11-15(8-9-16(17)20)18-3-2-10-25-18/h2-11H,1,12,20H2,(H,21,22)
InChIKeyLFXRMOUIXDSIRJ-UHFFFAOYSA-N
XLogP3.94
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
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 88928300
CID 88928300
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium
CID 68999115
[1-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]cyclopropyl]-methylphosphinic acid
CID 67316902
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide
CID 59627263
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(4-hydroxy-1-methyl-1,4-azaphosphinan-4-ium-4-yl)methyl]benzamide
CID 67317506
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402

Frequently Asked Questions

What is the IUPAC name of CID 88928326?
The IUPAC name of CID 88928326 (CID 88928326) is not available.
What is the SMILES notation for CID 88928326?
The canonical SMILES for CID 88928326 is C=[P+]([O-])Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of CID 88928326?
The InChIKey is LFXRMOUIXDSIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2O2PS/c1-24(23)12-13-4-6-14(7-5-13)19(22)21-17-11-15(8-9-16(17)20)18-3-2-10-25-18/h2-11H,1,12,20H2,(H,21,22).
What are the key properties of CID 88928326?
CID 88928326 has a molecular weight of 368.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88928326 is sourced from PubChem (CID 88928326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).