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

C25H23N3O3S2 — CID 16899648

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

N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 16899648) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• PubChem CID: 16899648
• Molecular Formula: C25H23N3O3S2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.12
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• SMILES: COc1cccc(CNC(=O)Cc2csc(SCC(=O)Nc3cccc4ccccc34)n2)c1
• InChI: InChI=1S/C25H23N3O3S2/c1-31-20-9-4-6-17(12-20)14-26-23(29)13-19-15-32-25(27-19)33-16-24(30)28-22-11-5-8-18-7-2-3-10-21(18)22/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,28,30)
• InChIKey: YVGDOFWJMYERRT-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 16899648) is N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is COc1cccc(CNC(=O)Cc2csc(SCC(=O)Nc3cccc4ccccc34)n2)c1.

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

The InChIKey is YVGDOFWJMYERRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c1-31-20-9-4-6-17(12-20)14-26-23(29)13-19-15-32-25(27-19)33-16-24(30)28-22-11-5-8-18-7-2-3-10-21(18)22/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,28,30).

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

N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 477.61 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16899648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).