ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate

C17H25NO4SSi — CID 11233963

IUPACethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate
SMILESC=C=C([C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C17H25NO4SSi/c1-7-15(24(4,5)6)16(17(19)22-8-2)18-23(20,21)14-11-9-13(3)10-12-14/h9-12,16,18H,1,8H2,2-6H3/t16-/m0/s1
InChIKeyYHJOVVUCVMDYMT-INIZCTEOSA-N
MW367.54 g/mol
LogP2.79
Rot. Bonds7

About ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate

ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate (PubChem CID 11233963) has the molecular formula C17H25NO4SSi and a molecular weight of 367.54 g/mol. Its IUPAC name is ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate
PubChem CID11233963
Molecular FormulaC17H25NO4SSi
Molecular Weight367.54 g/mol
Exact Mass367.13
IUPAC Nameethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate
SMILESC=C=C([C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C17H25NO4SSi/c1-7-15(24(4,5)6)16(17(19)22-8-2)18-23(20,21)14-11-9-13(3)10-12-14/h9-12,16,18H,1,8H2,2-6H3/t16-/m0/s1
InChIKeyYHJOVVUCVMDYMT-INIZCTEOSA-N
XLogP2.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate?
The IUPAC name of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate (CID 11233963) is ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate.
What is the SMILES notation for ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate?
The canonical SMILES for ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate is C=C=C([C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate?
The InChIKey is YHJOVVUCVMDYMT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO4SSi/c1-7-15(24(4,5)6)16(17(19)22-8-2)18-23(20,21)14-11-9-13(3)10-12-14/h9-12,16,18H,1,8H2,2-6H3/t16-/m0/s1.
What are the key properties of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate?
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate has a molecular weight of 367.54 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-trimethylsilylpenta-3,4-dienoate is sourced from PubChem (CID 11233963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).