5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide

C18H22N2O2S — CID 7409115

IUPAC5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C18H22N2O2S/c1-3-16-13(2)12-17(23-16)18(21)19-14-4-6-15(7-5-14)20-8-10-22-11-9-20/h4-7,12H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyHGLMUXXEHGXDKF-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.71
Rot. Bonds4

About 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide

5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 7409115) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID7409115
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C18H22N2O2S/c1-3-16-13(2)12-17(23-16)18(21)19-14-4-6-15(7-5-14)20-8-10-22-11-9-20/h4-7,12H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyHGLMUXXEHGXDKF-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 7409115) is 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide is CCc1sc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is HGLMUXXEHGXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-16-13(2)12-17(23-16)18(21)19-14-4-6-15(7-5-14)20-8-10-22-11-9-20/h4-7,12H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 7409115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).