CID 88928300

C19H17N2O3PS — CID 88928300

IUPAC—
SMILESC=[P+]([O-])OCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H17N2O3PS/c1-25(23)24-12-13-4-6-14(7-5-13)19(22)21-17-11-15(8-9-16(17)20)18-3-2-10-26-18/h2-11H,1,12,20H2,(H,21,22)
InChIKeyYUEFTAHZRUWNHP-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.87
Rot. Bonds6

About CID 88928300

CID 88928300 (PubChem CID 88928300) has the molecular formula C19H17N2O3PS and a molecular weight of 384.40 g/mol.

Molecular Properties

Compound NameCID 88928300
PubChem CID88928300
Molecular FormulaC19H17N2O3PS
Molecular Weight384.40 g/mol
Exact Mass384.07
IUPAC Name—
SMILESC=[P+]([O-])OCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H17N2O3PS/c1-25(23)24-12-13-4-6-14(7-5-13)19(22)21-17-11-15(8-9-16(17)20)18-3-2-10-26-18/h2-11H,1,12,20H2,(H,21,22)
InChIKeyYUEFTAHZRUWNHP-UHFFFAOYSA-N
XLogP3.87
TPSA87.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.87
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

CID 88928326
CID 88928326
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium
CID 69091409
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789
bis[[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy]-oxophosphanium
CID 69000333
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
propyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25156236
[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium
CID 68999115
[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium
CID 69000270
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[ethyl-(3-hydroxy-3-methylbutyl)phosphoryl]oxymethyl]benzamide
CID 69039696
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961

Frequently Asked Questions

What is the IUPAC name of CID 88928300?
The IUPAC name of CID 88928300 (CID 88928300) is not available.
What is the SMILES notation for CID 88928300?
The canonical SMILES for CID 88928300 is C=[P+]([O-])OCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of CID 88928300?
The InChIKey is YUEFTAHZRUWNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2O3PS/c1-25(23)24-12-13-4-6-14(7-5-13)19(22)21-17-11-15(8-9-16(17)20)18-3-2-10-26-18/h2-11H,1,12,20H2,(H,21,22).
What are the key properties of CID 88928300?
CID 88928300 has a molecular weight of 384.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88928300 is sourced from PubChem (CID 88928300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).