2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide

C28H26N2O4S — CID 18907876

About 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide

2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide (PubChem CID 18907876) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
• PubChem CID: 18907876
• Molecular Formula: C28H26N2O4S
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.16
• IUPAC Name: 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
• SMILES: COc1cccc(OC)c1C(=O)Nc1cccc(SC(C)C(=O)Nc2ccc3ccccc3c2)c1
• InChI: InChI=1S/C28H26N2O4S/c1-18(27(31)29-22-15-14-19-8-4-5-9-20(19)16-22)35-23-11-6-10-21(17-23)30-28(32)26-24(33-2)12-7-13-25(26)34-3/h4-18H,1-3H3,(H,29,31)(H,30,32)
• InChIKey: FCIKUFRUPYWEJH-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The IUPAC name of 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide (CID 18907876) is 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide.

What is the SMILES notation for 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The canonical SMILES for 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cccc(SC(C)C(=O)Nc2ccc3ccccc3c2)c1.

What is the InChIKey of 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The InChIKey is FCIKUFRUPYWEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-18(27(31)29-22-15-14-19-8-4-5-9-20(19)16-22)35-23-11-6-10-21(17-23)30-28(32)26-24(33-2)12-7-13-25(26)34-3/h4-18H,1-3H3,(H,29,31)(H,30,32).

What are the key properties of 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 486.59 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18907876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).