N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C25H22F3N3O2S — CID 55550324

About N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55550324) has the molecular formula C25H22F3N3O2S and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 55550324
• Molecular Formula: C25H22F3N3O2S
• Molecular Weight: 485.53 g/mol
• Exact Mass: 485.14
• IUPAC Name: N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: CN(Cc1ccccc1C(F)(F)F)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
• InChI: InChI=1S/C25H22F3N3O2S/c1-31(15-16-7-2-4-9-19(16)25(26,27)28)24(33)21(30-23(32)22-11-6-12-34-22)13-17-14-29-20-10-5-3-8-18(17)20/h2-12,14,21,29H,13,15H2,1H3,(H,30,32)
• InChIKey: GAZIHZDKRASYCG-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.53
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55550324) is N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1.

What is the InChIKey of N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is GAZIHZDKRASYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2S/c1-31(15-16-7-2-4-9-19(16)25(26,27)28)24(33)21(30-23(32)22-11-6-12-34-22)13-17-14-29-20-10-5-3-8-18(17)20/h2-12,14,21,29H,13,15H2,1H3,(H,30,32).

What are the key properties of N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 485.53 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55550324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).