(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

C23H24N2O3S — CID 9434105

About (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (PubChem CID 9434105) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

• Compound Name: (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
• PubChem CID: 9434105
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
• SMILES: COc1cc2c(cc1NC(=O)[C@H](C)N(C)Cc1sccc1C)oc1ccccc12
• InChI: InChI=1S/C23H24N2O3S/c1-14-9-10-29-22(14)13-25(3)15(2)23(26)24-18-12-20-17(11-21(18)27-4)16-7-5-6-8-19(16)28-20/h5-12,15H,13H2,1-4H3,(H,24,26)/t15-/m0/s1
• InChIKey: WQIHGKYZFUAMTH-HNNXBMFYSA-N
• XLogP: 5.42
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?

The IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (CID 9434105) is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

What is the SMILES notation for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?

The canonical SMILES for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is COc1cc2c(cc1NC(=O)[C@H](C)N(C)Cc1sccc1C)oc1ccccc12.

What is the InChIKey of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?

The InChIKey is WQIHGKYZFUAMTH-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-14-9-10-29-22(14)13-25(3)15(2)23(26)24-18-12-20-17(11-21(18)27-4)16-7-5-6-8-19(16)28-20/h5-12,15H,13H2,1-4H3,(H,24,26)/t15-/m0/s1.

What are the key properties of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide has a molecular weight of 408.52 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 9434105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).