[2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

C22H19NO3S — CID 2348205

IUPAC[2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccs1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3S/c24-20(16-26-21(25)14-13-19-12-7-15-27-19)23-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-15,22H,16H2,(H,23,24)/b14-13+
InChIKeyRXUFAHFIKIQMBV-BUHFOSPRSA-N
MW377.47 g/mol
LogP4.21
Rot. Bonds7

About [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2348205) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID2348205
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccs1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3S/c24-20(16-26-21(25)14-13-19-12-7-15-27-19)23-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-15,22H,16H2,(H,23,24)/b14-13+
InChIKeyRXUFAHFIKIQMBV-BUHFOSPRSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.21
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 [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 2348205) is [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is O=C(COC(=O)/C=C/c1cccs1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is RXUFAHFIKIQMBV-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H19NO3S/c24-20(16-26-21(25)14-13-19-12-7-15-27-19)23-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-15,22H,16H2,(H,23,24)/b14-13+.
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
[2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 377.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2348205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).