4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide

C25H24N2O4S — CID 60607123

IUPAC4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CCO1
InChIInChI=1S/C25H24N2O4S/c26-24(28)22-16-27(11-12-30-22)25(29)21(23-10-5-13-32-23)15-19-8-4-9-20(14-19)31-17-18-6-2-1-3-7-18/h1-10,13-15,22H,11-12,16-17H2,(H2,26,28)/b21-15+
InChIKeyGSSUWEUUGJPMOA-RCCKNPSSSA-N
MW448.54 g/mol
LogP3.58
Rot. Bonds7

About 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide

4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide (PubChem CID 60607123) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide
PubChem CID60607123
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CCO1
InChIInChI=1S/C25H24N2O4S/c26-24(28)22-16-27(11-12-30-22)25(29)21(23-10-5-13-32-23)15-19-8-4-9-20(14-19)31-17-18-6-2-1-3-7-18/h1-10,13-15,22H,11-12,16-17H2,(H2,26,28)/b21-15+
InChIKeyGSSUWEUUGJPMOA-RCCKNPSSSA-N
XLogP3.58
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide (CID 60607123) is 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CCO1.
What is the InChIKey of 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide?
The InChIKey is GSSUWEUUGJPMOA-RCCKNPSSSA-N. The full InChI is InChI=1S/C25H24N2O4S/c26-24(28)22-16-27(11-12-30-22)25(29)21(23-10-5-13-32-23)15-19-8-4-9-20(14-19)31-17-18-6-2-1-3-7-18/h1-10,13-15,22H,11-12,16-17H2,(H2,26,28)/b21-15+.
What are the key properties of 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide?
4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoyl]morpholine-2-carboxamide is sourced from PubChem (CID 60607123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).