5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C24H32N2O3S — CID 25162735

IUPAC5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCC1CCc2sc(C(=O)NCC(c3ccc(OC)cc3)N3CCOCC3)cc2C1
InChIInChI=1S/C24H32N2O3S/c1-3-17-4-9-22-19(14-17)15-23(30-22)24(27)25-16-21(26-10-12-29-13-11-26)18-5-7-20(28-2)8-6-18/h5-8,15,17,21H,3-4,9-14,16H2,1-2H3,(H,25,27)
InChIKeyBJVYYCADZVWQGJ-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.07
Rot. Bonds7

About 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 25162735) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID25162735
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCC1CCc2sc(C(=O)NCC(c3ccc(OC)cc3)N3CCOCC3)cc2C1
InChIInChI=1S/C24H32N2O3S/c1-3-17-4-9-22-19(14-17)15-23(30-22)24(27)25-16-21(26-10-12-29-13-11-26)18-5-7-20(28-2)8-6-18/h5-8,15,17,21H,3-4,9-14,16H2,1-2H3,(H,25,27)
InChIKeyBJVYYCADZVWQGJ-UHFFFAOYSA-N
XLogP4.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 25162735) is 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CCC1CCc2sc(C(=O)NCC(c3ccc(OC)cc3)N3CCOCC3)cc2C1.
What is the InChIKey of 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is BJVYYCADZVWQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-3-17-4-9-22-19(14-17)15-23(30-22)24(27)25-16-21(26-10-12-29-13-11-26)18-5-7-20(28-2)8-6-18/h5-8,15,17,21H,3-4,9-14,16H2,1-2H3,(H,25,27).
What are the key properties of 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25162735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).