N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

C18H25N3O5S2 — CID 25161902

About N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (PubChem CID 25161902) has the molecular formula C18H25N3O5S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
• PubChem CID: 25161902
• Molecular Formula: C18H25N3O5S2
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.12
• IUPAC Name: N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
• SMILES: COCC(C)NC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1
• InChI: InChI=1S/C18H25N3O5S2/c1-13(11-25-2)19-17(22)12-27-18-20-15-10-14(6-7-16(15)26-18)28(23,24)21-8-4-3-5-9-21/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,19,22)
• InChIKey: XTWFTQYRENIZLK-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (CID 25161902) is N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is COCC(C)NC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1.

What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?

The InChIKey is XTWFTQYRENIZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S2/c1-13(11-25-2)19-17(22)12-27-18-20-15-10-14(6-7-16(15)26-18)28(23,24)21-8-4-3-5-9-21/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,19,22).

What are the key properties of N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?

N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methoxypropan-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 25161902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).