2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide

C30H25N3O2S2 — CID 18900354

About 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide

2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide (PubChem CID 18900354) has the molecular formula C30H25N3O2S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
• PubChem CID: 18900354
• Molecular Formula: C30H25N3O2S2
• Molecular Weight: 523.68 g/mol
• Exact Mass: 523.14
• IUPAC Name: 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
• SMILES: Cc1ccccc1C(=O)Nc1cccc(SC(C)C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1
• InChI: InChI=1S/C30H25N3O2S2/c1-19-8-3-6-13-26(19)29(35)31-24-11-7-12-25(17-24)37-20(2)28(34)33-30-32-27(18-36-30)23-15-14-21-9-4-5-10-22(21)16-23/h3-18,20H,1-2H3,(H,31,35)(H,32,33,34)
• InChIKey: VRKAITUMYBKEMG-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.68
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The IUPAC name of 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide (CID 18900354) is 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide.

What is the SMILES notation for 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The canonical SMILES for 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(SC(C)C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1.

What is the InChIKey of 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The InChIKey is VRKAITUMYBKEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2S2/c1-19-8-3-6-13-26(19)29(35)31-24-11-7-12-25(17-24)37-20(2)28(34)33-30-32-27(18-36-30)23-15-14-21-9-4-5-10-22(21)16-23/h3-18,20H,1-2H3,(H,31,35)(H,32,33,34).

What are the key properties of 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 523.68 g/mol, XLogP of 7.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18900354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).