2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide

C23H31N3O5S2 — CID 43013345

About 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide

2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide (PubChem CID 43013345) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
• PubChem CID: 43013345
• Molecular Formula: C23H31N3O5S2
• Molecular Weight: 493.65 g/mol
• Exact Mass: 493.17
• IUPAC Name: 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
• SMILES: CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCc2sccc2C1C
• InChI: InChI=1S/C23H31N3O5S2/c1-16(2)31-21-5-4-18(33(28,29)26-9-11-30-12-10-26)14-20(21)24-23(27)15-25-8-6-22-19(17(25)3)7-13-32-22/h4-5,7,13-14,16-17H,6,8-12,15H2,1-3H3,(H,24,27)
• InChIKey: HTWXAPNZPGHGON-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.65
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?

The IUPAC name of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide (CID 43013345) is 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide.

What is the SMILES notation for 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?

The canonical SMILES for 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCc2sccc2C1C.

What is the InChIKey of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?

The InChIKey is HTWXAPNZPGHGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-16(2)31-21-5-4-18(33(28,29)26-9-11-30-12-10-26)14-20(21)24-23(27)15-25-8-6-22-19(17(25)3)7-13-32-22/h4-5,7,13-14,16-17H,6,8-12,15H2,1-3H3,(H,24,27).

What are the key properties of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?

2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide has a molecular weight of 493.65 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 43013345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).