N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C26H30FN3O3S — CID 4599559

About N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 4599559) has the molecular formula C26H30FN3O3S and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
• PubChem CID: 4599559
• Molecular Formula: C26H30FN3O3S
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.20
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
• SMILES: CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)Nc1cccc(OC)c1
• InChI: InChI=1S/C26H30FN3O3S/c1-4-13-29(26(32)28-22-6-5-7-23(15-22)33-3)18-25(31)30(17-24-19(2)12-14-34-24)16-20-8-10-21(27)11-9-20/h5-12,14-15H,4,13,16-18H2,1-3H3,(H,28,32)
• InChIKey: YANQKTHATBJYEA-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 4599559) is N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)Nc1cccc(OC)c1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The InChIKey is YANQKTHATBJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3S/c1-4-13-29(26(32)28-22-6-5-7-23(15-22)33-3)18-25(31)30(17-24-19(2)12-14-34-24)16-20-8-10-21(27)11-9-20/h5-12,14-15H,4,13,16-18H2,1-3H3,(H,28,32).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 483.61 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 4599559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).