N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C22H20F2N2O2S — CID 55536599

About N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 55536599) has the molecular formula C22H20F2N2O2S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 55536599
• Molecular Formula: C22H20F2N2O2S
• Molecular Weight: 414.48 g/mol
• Exact Mass: 414.12
• IUPAC Name: N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• SMILES: CN(Cc1ccc(F)cc1F)C(=O)C(Cc1ccccc1)NC(=O)c1cccs1
• InChI: InChI=1S/C22H20F2N2O2S/c1-26(14-16-9-10-17(23)13-18(16)24)22(28)19(12-15-6-3-2-4-7-15)25-21(27)20-8-5-11-29-20/h2-11,13,19H,12,14H2,1H3,(H,25,27)
• InChIKey: PHZSCIDVACBIEO-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.48
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 55536599) is N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)C(Cc1ccccc1)NC(=O)c1cccs1.

What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The InChIKey is PHZSCIDVACBIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2S/c1-26(14-16-9-10-17(23)13-18(16)24)22(28)19(12-15-6-3-2-4-7-15)25-21(27)20-8-5-11-29-20/h2-11,13,19H,12,14H2,1H3,(H,25,27).

What are the key properties of N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55536599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).