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

C24H21N3O2S2 — CID 16899571

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

N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 16899571) has the molecular formula C24H21N3O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• PubChem CID: 16899571
• Molecular Formula: C24H21N3O2S2
• Molecular Weight: 447.59 g/mol
• Exact Mass: 447.11
• IUPAC Name: N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• SMILES: O=C(Cc1csc(SCC(=O)Nc2cccc3ccccc23)n1)NCc1ccccc1
• InChI: InChI=1S/C24H21N3O2S2/c28-22(25-14-17-7-2-1-3-8-17)13-19-15-30-24(26-19)31-16-23(29)27-21-12-6-10-18-9-4-5-11-20(18)21/h1-12,15H,13-14,16H2,(H,25,28)(H,27,29)
• InChIKey: JKWZVNYASGGMGL-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.59
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 16899571) is N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(SCC(=O)Nc2cccc3ccccc23)n1)NCc1ccccc1.

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

The InChIKey is JKWZVNYASGGMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S2/c28-22(25-14-17-7-2-1-3-8-17)13-19-15-30-24(26-19)31-16-23(29)27-21-12-6-10-18-9-4-5-11-20(18)21/h1-12,15H,13-14,16H2,(H,25,28)(H,27,29).

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

N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 447.59 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16899571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).