4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide

C18H17FN2O3S — CID 49418207

IUPAC4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C18H17FN2O3S/c19-13-3-1-12(2-4-13)16-7-5-14(25-16)6-8-17(22)21-9-10-24-15(11-21)18(20)23/h1-8,15H,9-11H2,(H2,20,23)/b8-6+
InChIKeyCCHSLDXHNCOLPO-SOFGYWHQSA-N
MW360.41 g/mol
LogP2.28
Rot. Bonds4

About 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide

4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide (PubChem CID 49418207) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide
PubChem CID49418207
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C18H17FN2O3S/c19-13-3-1-12(2-4-13)16-7-5-14(25-16)6-8-17(22)21-9-10-24-15(11-21)18(20)23/h1-8,15H,9-11H2,(H2,20,23)/b8-6+
InChIKeyCCHSLDXHNCOLPO-SOFGYWHQSA-N
XLogP2.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.28
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 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide (CID 49418207) is 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CCO1.
What is the InChIKey of 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide?
The InChIKey is CCHSLDXHNCOLPO-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c19-13-3-1-12(2-4-13)16-7-5-14(25-16)6-8-17(22)21-9-10-24-15(11-21)18(20)23/h1-8,15H,9-11H2,(H2,20,23)/b8-6+.
What are the key properties of 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide?
4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide is sourced from PubChem (CID 49418207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).