N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

C24H21N3O2S3 — CID 16899613

About N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 16899613) has the molecular formula C24H21N3O2S3 and a molecular weight of 479.65 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• PubChem CID: 16899613
• Molecular Formula: C24H21N3O2S3
• Molecular Weight: 479.65 g/mol
• Exact Mass: 479.08
• IUPAC Name: N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• SMILES: CSc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2cccc3ccccc23)n1
• InChI: InChI=1S/C24H21N3O2S3/c1-30-21-12-5-4-10-20(21)27-22(28)13-17-14-31-24(25-17)32-15-23(29)26-19-11-6-8-16-7-2-3-9-18(16)19/h2-12,14H,13,15H2,1H3,(H,26,29)(H,27,28)
• InChIKey: SUPNVOHMIHKUBI-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.65
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 16899613) is N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is CSc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2cccc3ccccc23)n1.

What is the InChIKey of N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The InChIKey is SUPNVOHMIHKUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S3/c1-30-21-12-5-4-10-20(21)27-22(28)13-17-14-31-24(25-17)32-15-23(29)26-19-11-6-8-16-7-2-3-9-18(16)19/h2-12,14H,13,15H2,1H3,(H,26,29)(H,27,28).

What are the key properties of N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 479.65 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16899613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).