N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide

C20H28N2O4SSi — CID 70154235

IUPACN-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide
SMILESCCc1ccsc1NC(=O)N1C(=O)C(O[Si](CC)(CC)CC)C1c1ccco1
InChIInChI=1S/C20H28N2O4SSi/c1-5-14-11-13-27-18(14)21-20(24)22-16(15-10-9-12-25-15)17(19(22)23)26-28(6-2,7-3)8-4/h9-13,16-17H,5-8H2,1-4H3,(H,21,24)
InChIKeyWCGZEAJUZZHNBZ-UHFFFAOYSA-N
MW420.61 g/mol
LogP5.41
Rot. Bonds8

About N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide

N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide (PubChem CID 70154235) has the molecular formula C20H28N2O4SSi and a molecular weight of 420.61 g/mol. Its IUPAC name is N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide
PubChem CID70154235
Molecular FormulaC20H28N2O4SSi
Molecular Weight420.61 g/mol
Exact Mass420.15
IUPAC NameN-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide
SMILESCCc1ccsc1NC(=O)N1C(=O)C(O[Si](CC)(CC)CC)C1c1ccco1
InChIInChI=1S/C20H28N2O4SSi/c1-5-14-11-13-27-18(14)21-20(24)22-16(15-10-9-12-25-15)17(19(22)23)26-28(6-2,7-3)8-4/h9-13,16-17H,5-8H2,1-4H3,(H,21,24)
InChIKeyWCGZEAJUZZHNBZ-UHFFFAOYSA-N
XLogP5.41
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N,N-diethyl-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide
CID 54552128
N,N-diethyl-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide
CID 22722405
(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 134920379
(2S)-N-(4-ethylphenyl)-2-(furan-2-yl)-1,3-thiazolidine-3-carboxamide
CID 7238198
methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate
CID 101189036
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766
methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 129362185
4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
CID 101419326
methyl (2R,3S,4S)-2-(furan-2-yl)-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 51418122
methyl (3S,4S)-2-(furan-2-yl)-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 2754063
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119646754
ethyl (3S,4R)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135906188

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide?
The IUPAC name of N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide (CID 70154235) is N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide.
What is the SMILES notation for N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide?
The canonical SMILES for N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide is CCc1ccsc1NC(=O)N1C(=O)C(O[Si](CC)(CC)CC)C1c1ccco1.
What is the InChIKey of N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide?
The InChIKey is WCGZEAJUZZHNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4SSi/c1-5-14-11-13-27-18(14)21-20(24)22-16(15-10-9-12-25-15)17(19(22)23)26-28(6-2,7-3)8-4/h9-13,16-17H,5-8H2,1-4H3,(H,21,24).
What are the key properties of N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide?
N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide has a molecular weight of 420.61 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylthiophen-2-yl)-2-(furan-2-yl)-4-oxo-3-triethylsilyloxyazetidine-1-carboxamide is sourced from PubChem (CID 70154235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).