N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide

C23H28N2OSSi — CID 58283961

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
SMILESC[Si](C)(C)CCCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C23H28N2OSSi/c1-28(2,3)15-5-6-17-8-10-18(11-9-17)23(26)25-21-16-19(12-13-20(21)24)22-7-4-14-27-22/h4,7-14,16H,5-6,15,24H2,1-3H3,(H,25,26)
InChIKeyGFWLLHNHXMTERC-UHFFFAOYSA-N
MW408.64 g/mol
LogP6.52
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide (PubChem CID 58283961) has the molecular formula C23H28N2OSSi and a molecular weight of 408.64 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
PubChem CID58283961
Molecular FormulaC23H28N2OSSi
Molecular Weight408.64 g/mol
Exact Mass408.17
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
SMILESC[Si](C)(C)CCCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C23H28N2OSSi/c1-28(2,3)15-5-6-17-8-10-18(11-9-17)23(26)25-21-16-19(12-13-20(21)24)22-7-4-14-27-22/h4,7-14,16H,5-6,15,24H2,1-3H3,(H,25,26)
InChIKeyGFWLLHNHXMTERC-UHFFFAOYSA-N
XLogP6.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.64
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide
CID 58283988
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 69101574
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide
CID 59627263
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-[ethoxy(methyl)phosphanyl]oxyethyl]benzamide
CID 143614034
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(4-hydroxy-1-methyl-1,4-azaphosphinan-4-ium-4-yl)methyl]benzamide
CID 67317506
propyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25156236
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-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-(4-methyl-2,5-dioxopiperazin-1-yl)ethyl]benzamide
CID 145031072

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide (CID 58283961) is N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide is C[Si](C)(C)CCCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide?
The InChIKey is GFWLLHNHXMTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OSSi/c1-28(2,3)15-5-6-17-8-10-18(11-9-17)23(26)25-21-16-19(12-13-20(21)24)22-7-4-14-27-22/h4,7-14,16H,5-6,15,24H2,1-3H3,(H,25,26).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide has a molecular weight of 408.64 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide is sourced from PubChem (CID 58283961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).