3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide

C24H33N3O3S — CID 110251289

About 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide

3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 110251289) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
• PubChem CID: 110251289
• Molecular Formula: C24H33N3O3S
• Molecular Weight: 443.61 g/mol
• Exact Mass: 443.22
• IUPAC Name: 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
• SMILES: CN(C)CCNC(=O)c1sc2ccccc2c1C1CN(C(=O)CC2CCCC2)CCO1
• InChI: InChI=1S/C24H33N3O3S/c1-26(2)12-11-25-24(29)23-22(18-9-5-6-10-20(18)31-23)19-16-27(13-14-30-19)21(28)15-17-7-3-4-8-17/h5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3,(H,25,29)
• InChIKey: XKPWGZKDSMIJHY-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.61
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?

The IUPAC name of 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide (CID 110251289) is 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?

The canonical SMILES for 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide is CN(C)CCNC(=O)c1sc2ccccc2c1C1CN(C(=O)CC2CCCC2)CCO1.

What is the InChIKey of 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?

The InChIKey is XKPWGZKDSMIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-26(2)12-11-25-24(29)23-22(18-9-5-6-10-20(18)31-23)19-16-27(13-14-30-19)21(28)15-17-7-3-4-8-17/h5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3,(H,25,29).

What are the key properties of 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?

3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 443.61 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110251289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).