methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate

C15H13NO3S — CID 832373

IUPACmethyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate
SMILESCOC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C15H13NO3S/c1-19-15(18)13(10-12-8-5-9-20-12)16-14(17)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17)/b13-10-
InChIKeyAAJGMWFSPKKSOE-RAXLEYEMSA-N
MW287.34 g/mol
LogP2.69
Rot. Bonds4

About methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate

methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate (PubChem CID 832373) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate
PubChem CID832373
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Namemethyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate
SMILESCOC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C15H13NO3S/c1-19-15(18)13(10-12-8-5-9-20-12)16-14(17)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17)/b13-10-
InChIKeyAAJGMWFSPKKSOE-RAXLEYEMSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate (CID 832373) is methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate is COC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1.
What is the InChIKey of methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate?
The InChIKey is AAJGMWFSPKKSOE-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-15(18)13(10-12-8-5-9-20-12)16-14(17)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17)/b13-10-.
What are the key properties of methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate?
methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate has a molecular weight of 287.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-benzamido-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 832373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).