5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide

C23H22N2O3S — CID 117089915

IUPAC5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1cccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)s2)c1
InChIInChI=1S/C23H22N2O3S/c1-16(26)17-3-2-4-18(15-17)21-9-10-22(29-21)23(27)24-19-5-7-20(8-6-19)25-11-13-28-14-12-25/h2-10,15H,11-14H2,1H3,(H,24,27)
InChIKeyUZPKPIQXBMVPMS-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.71
Rot. Bonds5

About 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide

5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 117089915) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID117089915
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1cccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)s2)c1
InChIInChI=1S/C23H22N2O3S/c1-16(26)17-3-2-4-18(15-17)21-9-10-22(29-21)23(27)24-19-5-7-20(8-6-19)25-11-13-28-14-12-25/h2-10,15H,11-14H2,1H3,(H,24,27)
InChIKeyUZPKPIQXBMVPMS-UHFFFAOYSA-N
XLogP4.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 117089915) is 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide is CC(=O)c1cccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)s2)c1.
What is the InChIKey of 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is UZPKPIQXBMVPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16(26)17-3-2-4-18(15-17)21-9-10-22(29-21)23(27)24-19-5-7-20(8-6-19)25-11-13-28-14-12-25/h2-10,15H,11-14H2,1H3,(H,24,27).
What are the key properties of 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylphenyl)-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 117089915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).