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

C25H30N2O2SSi — CID 58283988

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide
SMILESC[Si](C)(C)CCC(=O)CCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C25H30N2O2SSi/c1-31(2,3)16-14-21(28)12-8-18-6-9-19(10-7-18)25(29)27-23-17-20(11-13-22(23)26)24-5-4-15-30-24/h4-7,9-11,13,15,17H,8,12,14,16,26H2,1-3H3,(H,27,29)
InChIKeyJRSHBRLTALUBPV-UHFFFAOYSA-N
MW450.68 g/mol
LogP6.48
Rot. Bonds9

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

N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide (PubChem CID 58283988) has the molecular formula C25H30N2O2SSi and a molecular weight of 450.68 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide
PubChem CID58283988
Molecular FormulaC25H30N2O2SSi
Molecular Weight450.68 g/mol
Exact Mass450.18
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide
SMILESC[Si](C)(C)CCC(=O)CCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C25H30N2O2SSi/c1-31(2,3)16-14-21(28)12-8-18-6-9-19(10-7-18)25(29)27-23-17-20(11-13-22(23)26)24-5-4-15-30-24/h4-7,9-11,13,15,17H,8,12,14,16,26H2,1-3H3,(H,27,29)
InChIKeyJRSHBRLTALUBPV-UHFFFAOYSA-N
XLogP6.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.68
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-trimethylsilylpropyl)benzamide
CID 58283961
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide
CID 59627263
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide
CID 58283991
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-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 69101574
4-[2-amino-3-(ethylamino)-3-oxopropyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 76625451
propyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25156236
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]methyl 3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]propanoate
CID 58283968

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide (CID 58283988) is N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide is C[Si](C)(C)CCC(=O)CCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide?
The InChIKey is JRSHBRLTALUBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2SSi/c1-31(2,3)16-14-21(28)12-8-18-6-9-19(10-7-18)25(29)27-23-17-20(11-13-22(23)26)24-5-4-15-30-24/h4-7,9-11,13,15,17H,8,12,14,16,26H2,1-3H3,(H,27,29).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide has a molecular weight of 450.68 g/mol, XLogP of 6.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide is sourced from PubChem (CID 58283988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).