4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

C28H38N4O5S2 — CID 23992507

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 23992507) has the molecular formula C28H38N4O5S2 and a molecular weight of 574.77 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 23992507
• Molecular Formula: C28H38N4O5S2
• Molecular Weight: 574.77 g/mol
• Exact Mass: 574.23
• IUPAC Name: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N3CCCC3)CCN(C(C)C)C4)cc2)CC(C)O1
• InChI: InChI=1S/C28H38N4O5S2/c1-18(2)31-14-11-23-24(17-31)38-27(25(23)28(34)30-12-5-6-13-30)29-26(33)21-7-9-22(10-8-21)39(35,36)32-15-19(3)37-20(4)16-32/h7-10,18-20H,5-6,11-17H2,1-4H3,(H,29,33)
• InChIKey: DJQCOIPHXOJFNW-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.77
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 23992507) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N3CCCC3)CCN(C(C)C)C4)cc2)CC(C)O1.

What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The InChIKey is DJQCOIPHXOJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O5S2/c1-18(2)31-14-11-23-24(17-31)38-27(25(23)28(34)30-12-5-6-13-30)29-26(33)21-7-9-22(10-8-21)39(35,36)32-15-19(3)37-20(4)16-32/h7-10,18-20H,5-6,11-17H2,1-4H3,(H,29,33).

What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 574.77 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 23992507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).