2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C18H25N5O2S — CID 91798143

About 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91798143) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
• PubChem CID: 91798143
• Molecular Formula: C18H25N5O2S
• Molecular Weight: 375.50 g/mol
• Exact Mass: 375.17
• IUPAC Name: 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
• SMILES: CC(=O)c1cc(CC(=O)NC2CC(c3nnc(CN(C)C)n3C)C2)cs1
• InChI: InChI=1S/C18H25N5O2S/c1-11(24)15-5-12(10-26-15)6-17(25)19-14-7-13(8-14)18-21-20-16(23(18)4)9-22(2)3/h5,10,13-14H,6-9H2,1-4H3,(H,19,25)
• InChIKey: NFHJHKHVPVWBCN-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.50
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?

The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91798143) is 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?

The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CC(=O)c1cc(CC(=O)NC2CC(c3nnc(CN(C)C)n3C)C2)cs1.

What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?

The InChIKey is NFHJHKHVPVWBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-11(24)15-5-12(10-26-15)6-17(25)19-14-7-13(8-14)18-21-20-16(23(18)4)9-22(2)3/h5,10,13-14H,6-9H2,1-4H3,(H,19,25).

What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?

2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91798143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).