[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium

C24H28N2O2PS+ — CID 154074694

IUPAC[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
SMILESCC(C)C([PH+]=O)(c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)C(C)C
InChIInChI=1S/C24H27N2O2PS/c1-15(2)24(29-28,16(3)4)19-10-7-17(8-11-19)23(27)26-21-14-18(9-12-20(21)25)22-6-5-13-30-22/h5-16H,25H2,1-4H3,(H,26,27)/p+1
InChIKeyQPHPFBNDCQVKAL-UHFFFAOYSA-O
MW439.54 g/mol
LogP6.78
Rot. Bonds7

About [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium

[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium (PubChem CID 154074694) has the molecular formula C24H28N2O2PS+ and a molecular weight of 439.54 g/mol. Its IUPAC name is [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium.

Molecular Properties

Compound Name[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
PubChem CID154074694
Molecular FormulaC24H28N2O2PS+
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
SMILESCC(C)C([PH+]=O)(c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)C(C)C
InChIInChI=1S/C24H27N2O2PS/c1-15(2)24(29-28,16(3)4)19-10-7-17(8-11-19)23(27)26-21-14-18(9-12-20(21)25)22-6-5-13-30-22/h5-16H,25H2,1-4H3,(H,26,27)/p+1
InChIKeyQPHPFBNDCQVKAL-UHFFFAOYSA-O
XLogP6.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 56.78
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'}

Analyze [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-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-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-[methoxy(methyl)phosphanyl]oxyethyl]benzamide
CID 143614063
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
(2-amino-2-methylpropoxy)-[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]ethyl]phosphinic acid
CID 25012986
[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-(methylamino)-2-oxoethyl] 2-methylpropanoate
CID 24783960
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
(2-amino-2-oxoethoxy)-[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]ethoxy]-oxophosphanium
CID 67317267
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium?
The IUPAC name of [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium (CID 154074694) is [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium.
What is the SMILES notation for [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium?
The canonical SMILES for [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium is CC(C)C([PH+]=O)(c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)C(C)C.
What is the InChIKey of [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium?
The InChIKey is QPHPFBNDCQVKAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27N2O2PS/c1-15(2)24(29-28,16(3)4)19-10-7-17(8-11-19)23(27)26-21-14-18(9-12-20(21)25)22-6-5-13-30-22/h5-16H,25H2,1-4H3,(H,26,27)/p+1.
What are the key properties of [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium?
[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium has a molecular weight of 439.54 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium is sourced from PubChem (CID 154074694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).