2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide

C24H30F3N3O4S — CID 132681974

About 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide

2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132681974) has the molecular formula C24H30F3N3O4S and a molecular weight of 513.58 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 132681974
• Molecular Formula: C24H30F3N3O4S
• Molecular Weight: 513.58 g/mol
• Exact Mass: 513.19
• IUPAC Name: 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide
• SMILES: Cc1ccccc1CN(C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)C(C)C(=O)NC(C)C
• InChI: InChI=1S/C24H30F3N3O4S/c1-16(2)28-23(32)18(4)29(14-19-10-7-6-9-17(19)3)22(31)15-30(35(5,33)34)21-12-8-11-20(13-21)24(25,26)27/h6-13,16,18H,14-15H2,1-5H3,(H,28,32)
• InChIKey: ONSNRZRTHJHORD-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.58
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide?

The IUPAC name of 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide (CID 132681974) is 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide is Cc1ccccc1CN(C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)C(C)C(=O)NC(C)C.

What is the InChIKey of 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide?

The InChIKey is ONSNRZRTHJHORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O4S/c1-16(2)28-23(32)18(4)29(14-19-10-7-6-9-17(19)3)22(31)15-30(35(5,33)34)21-12-8-11-20(13-21)24(25,26)27/h6-13,16,18H,14-15H2,1-5H3,(H,28,32).

What are the key properties of 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide?

2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 513.58 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132681974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).