N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

C21H31N5O4S2 — CID 43052150

About N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 43052150) has the molecular formula C21H31N5O4S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
• PubChem CID: 43052150
• Molecular Formula: C21H31N5O4S2
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.18
• IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nc(CN3CCCCCC3)cs2)c1
• InChI: InChI=1S/C21H31N5O4S2/c1-3-26(4-2)32(29,30)18-9-10-20(28)25(14-18)15-19(27)23-21-22-17(16-31-21)13-24-11-7-5-6-8-12-24/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,22,23,27)
• InChIKey: DKJYUJLVZYMDIX-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 104.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?

The IUPAC name of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 43052150) is N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

What is the SMILES notation for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?

The canonical SMILES for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nc(CN3CCCCCC3)cs2)c1.

What is the InChIKey of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?

The InChIKey is DKJYUJLVZYMDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O4S2/c1-3-26(4-2)32(29,30)18-9-10-20(28)25(14-18)15-19(27)23-21-22-17(16-31-21)13-24-11-7-5-6-8-12-24/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,22,23,27).

What are the key properties of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 481.64 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 43052150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).