methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate

C15H21NO3SSi — CID 18469680

IUPACmethyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate
SMILESC=CC[Si](C)(C)c1ccc(/C=C(\NC(C)=O)C(=O)OC)s1
InChIInChI=1S/C15H21NO3SSi/c1-6-9-21(4,5)14-8-7-12(20-14)10-13(15(18)19-3)16-11(2)17/h6-8,10H,1,9H2,2-5H3,(H,16,17)/b13-10-
InChIKeyACLRGZMESJGYPF-RAXLEYEMSA-N
MW323.49 g/mol
LogP2.50
Rot. Bonds6

About methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate

methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate (PubChem CID 18469680) has the molecular formula C15H21NO3SSi and a molecular weight of 323.49 g/mol. Its IUPAC name is methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate
PubChem CID18469680
Molecular FormulaC15H21NO3SSi
Molecular Weight323.49 g/mol
Exact Mass323.10
IUPAC Namemethyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate
SMILESC=CC[Si](C)(C)c1ccc(/C=C(\NC(C)=O)C(=O)OC)s1
InChIInChI=1S/C15H21NO3SSi/c1-6-9-21(4,5)14-8-7-12(20-14)10-13(15(18)19-3)16-11(2)17/h6-8,10H,1,9H2,2-5H3,(H,16,17)/b13-10-
InChIKeyACLRGZMESJGYPF-RAXLEYEMSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13180766
methyl 2-acetamido-3-(5-chlorothiophen-2-yl)prop-2-enoate
CID 131851535
methyl 2-acetamido-3-(5-carbamoylthiophen-2-yl)prop-2-enoate
CID 54265266
methyl (E)-2-acetamido-3-pyridin-4-ylprop-2-enoate
CID 121219344
methyl (Z)-2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13180771
methyl 2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 4066470
methyl (Z)-2-acetamido-3-(4-nitrophenyl)prop-2-enoate
CID 10912370
methyl (2E)-2-acetamidopenta-2,4-dienoate
CID 101173964
methyl (Z)-2-acetamido-3-(6-amino-5-methyl-3-pyridinyl)prop-2-enoate
CID 67301814
methyl (Z)-2-acetamido-3-iodoprop-2-enoate
CID 15940885
methyl 2-acetamido-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
CID 165350656
methyl (E)-2-acetamido-3-[2-[(4-methylphenyl)sulfonylmethyl]phenyl]prop-2-enoate
CID 10883582

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate?
The IUPAC name of methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate (CID 18469680) is methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate?
The canonical SMILES for methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate is C=CC[Si](C)(C)c1ccc(/C=C(\NC(C)=O)C(=O)OC)s1.
What is the InChIKey of methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate?
The InChIKey is ACLRGZMESJGYPF-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H21NO3SSi/c1-6-9-21(4,5)14-8-7-12(20-14)10-13(15(18)19-3)16-11(2)17/h6-8,10H,1,9H2,2-5H3,(H,16,17)/b13-10-.
What are the key properties of methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate?
methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate has a molecular weight of 323.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-acetamido-3-[5-[dimethyl(prop-2-enyl)silyl]thiophen-2-yl]prop-2-enoate is sourced from PubChem (CID 18469680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).