5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C23H24N2O2S2 — CID 24548177

IUPAC5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C23H24N2O2S2/c1-2-10-25(17-19-9-6-15-28-19)22(26)21-16-20(18-7-4-3-5-8-18)23(29-21)24-11-13-27-14-12-24/h2-9,15-16H,1,10-14,17H2
InChIKeyJYFQGBDRQKELQD-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.14
Rot. Bonds7

About 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 24548177) has the molecular formula C23H24N2O2S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID24548177
Molecular FormulaC23H24N2O2S2
Molecular Weight424.59 g/mol
Exact Mass424.13
IUPAC Name5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C23H24N2O2S2/c1-2-10-25(17-19-9-6-15-28-19)22(26)21-16-20(18-7-4-3-5-8-18)23(29-21)24-11-13-27-14-12-24/h2-9,15-16H,1,10-14,17H2
InChIKeyJYFQGBDRQKELQD-UHFFFAOYSA-N
XLogP5.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 24548177) is 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JYFQGBDRQKELQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S2/c1-2-10-25(17-19-9-6-15-28-19)22(26)21-16-20(18-7-4-3-5-8-18)23(29-21)24-11-13-27-14-12-24/h2-9,15-16H,1,10-14,17H2.
What are the key properties of 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-4-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 24548177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).