N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide

C25H34N4O6SSi — CID 173438365

IUPACN-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide
SMILESCC(=CC=O)C(O[Si](C)(C)C)N1C(=O)C(NC(=O)Cc2ccccc2)C1SN1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C25H34N4O6SSi/c1-16(13-14-30)21(35-37(5,6)7)28-20(32)19(26-18(31)15-17-11-9-8-10-12-17)22(28)36-29-23(33)25(2,3)27(4)24(29)34/h8-14,19,21-22H,15H2,1-7H3,(H,26,31)
InChIKeyGRATZTILVTUSQG-UHFFFAOYSA-N
MW546.72 g/mol
LogP2.53
Rot. Bonds10

About N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide

N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide (PubChem CID 173438365) has the molecular formula C25H34N4O6SSi and a molecular weight of 546.72 g/mol. Its IUPAC name is N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide
PubChem CID173438365
Molecular FormulaC25H34N4O6SSi
Molecular Weight546.72 g/mol
Exact Mass546.20
IUPAC NameN-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide
SMILESCC(=CC=O)C(O[Si](C)(C)C)N1C(=O)C(NC(=O)Cc2ccccc2)C1SN1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C25H34N4O6SSi/c1-16(13-14-30)21(35-37(5,6)7)28-20(32)19(26-18(31)15-17-11-9-8-10-12-17)22(28)36-29-23(33)25(2,3)27(4)24(29)34/h8-14,19,21-22H,15H2,1-7H3,(H,26,31)
InChIKeyGRATZTILVTUSQG-UHFFFAOYSA-N
XLogP2.53
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.72
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide 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

trimethylsilyl 2-[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)sulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-2-enoate
CID 54423290
3-[2-fluoro-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-4-methylpent-4-enoic acid
CID 70482768
2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid
CID 22561648
methyl (2S,5R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70367326
benzhydryl (6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 90474570
(6R,8R,9R)-10-oxo-9-[(2-phenylacetyl)amino]-5-trimethylsilyl-7-thia-1-azatricyclo[6.2.0.03,6]deca-2,4-diene-2-carboxylic acid
CID 54325284
N-[(6R)-2-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide
CID 134260107
(4-nitrophenyl)methyl 2-hydroxy-2-[2-oxo-3-[(2-phenylacetyl)amino]-4-sulfanylazetidin-1-yl]acetate
CID 87889537
methylsulfanylmethyl (6R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate
CID 70361136
2-oxopropyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 3730404
tert-butyl 2-[(2R,3R)-2-(2-hydroxypropylsulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 88795978
methyl (5R)-3-(iodomethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70610302

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide (CID 173438365) is N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide is CC(=CC=O)C(O[Si](C)(C)C)N1C(=O)C(NC(=O)Cc2ccccc2)C1SN1C(=O)N(C)C(C)(C)C1=O.
What is the InChIKey of N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide?
The InChIKey is GRATZTILVTUSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6SSi/c1-16(13-14-30)21(35-37(5,6)7)28-20(32)19(26-18(31)15-17-11-9-8-10-12-17)22(28)36-29-23(33)25(2,3)27(4)24(29)34/h8-14,19,21-22H,15H2,1-7H3,(H,26,31).
What are the key properties of N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide?
N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide has a molecular weight of 546.72 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-4-oxo-1-trimethylsilyloxybut-2-enyl)-2-oxo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 173438365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).