5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C25H25N3OS — CID 163231572

About 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231572) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• PubChem CID: 163231572
• Molecular Formula: C25H25N3OS
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.17
• IUPAC Name: 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• SMILES: Cc1ccc(Nc2cc(C)c(N)s2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
• InChI: InChI=1S/C25H25N3OS/c1-15-11-12-19(28-23-13-16(2)24(26)30-23)14-22(15)25(29)27-17(3)20-10-6-8-18-7-4-5-9-21(18)20/h4-14,17,28H,26H2,1-3H3,(H,27,29)/t17-/m1/s1
• InChIKey: ZVTBJCQIQYCRLS-QGZVFWFLSA-N
• XLogP: 6.33
• TPSA: 67.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The IUPAC name of 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231572) is 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

What is the SMILES notation for 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The canonical SMILES for 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(Nc2cc(C)c(N)s2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.

What is the InChIKey of 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The InChIKey is ZVTBJCQIQYCRLS-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-15-11-12-19(28-23-13-16(2)24(26)30-23)14-22(15)25(29)27-17(3)20-10-6-8-18-7-4-5-9-21(18)20/h4-14,17,28H,26H2,1-3H3,(H,27,29)/t17-/m1/s1.

What are the key properties of 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 415.56 g/mol, XLogP of 6.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).