N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide

C20H21N3OS2 — CID 50801004

About N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide

N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide (PubChem CID 50801004) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
• PubChem CID: 50801004
• Molecular Formula: C20H21N3OS2
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.11
• IUPAC Name: N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
• SMILES: Cc1ccccc1NC(=O)CSC1=NC2(CCCC2)N=C1c1cccs1
• InChI: InChI=1S/C20H21N3OS2/c1-14-7-2-3-8-15(14)21-17(24)13-26-19-18(16-9-6-12-25-16)22-20(23-19)10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,24)
• InChIKey: DWQVZYWCBQDWPL-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 53.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide (CID 50801004) is N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide is Cc1ccccc1NC(=O)CSC1=NC2(CCCC2)N=C1c1cccs1.

What is the InChIKey of N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?

The InChIKey is DWQVZYWCBQDWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-14-7-2-3-8-15(14)21-17(24)13-26-19-18(16-9-6-12-25-16)22-20(23-19)10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,24).

What are the key properties of N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?

N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 50801004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).