5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide

C20H24N2O3S — CID 102556681

About 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide

5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 102556681) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide
• PubChem CID: 102556681
• Molecular Formula: C20H24N2O3S
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.15
• IUPAC Name: 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide
• SMILES: Cc1ccc(NC(=O)CC2OCCc3ccsc32)cc1C(=O)NC(C)C
• InChI: InChI=1S/C20H24N2O3S/c1-12(2)21-20(24)16-10-15(5-4-13(16)3)22-18(23)11-17-19-14(6-8-25-17)7-9-26-19/h4-5,7,9-10,12,17H,6,8,11H2,1-3H3,(H,21,24)(H,22,23)
• InChIKey: XKDUCZFEOPORPZ-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide?

The IUPAC name of 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide (CID 102556681) is 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide.

What is the SMILES notation for 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide?

The canonical SMILES for 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide is Cc1ccc(NC(=O)CC2OCCc3ccsc32)cc1C(=O)NC(C)C.

What is the InChIKey of 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide?

The InChIKey is XKDUCZFEOPORPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12(2)21-20(24)16-10-15(5-4-13(16)3)22-18(23)11-17-19-14(6-8-25-17)7-9-26-19/h4-5,7,9-10,12,17H,6,8,11H2,1-3H3,(H,21,24)(H,22,23).

What are the key properties of 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide?

5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 102556681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).