N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide

C28H25FN4O6 — CID 92533739

About N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 92533739) has the molecular formula C28H25FN4O6 and a molecular weight of 532.53 g/mol. Its IUPAC name is N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 92533739
• Molecular Formula: C28H25FN4O6
• Molecular Weight: 532.53 g/mol
• Exact Mass: 532.18
• IUPAC Name: N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NCc2ccco2)c2ccccc2F)cc1
• InChI: InChI=1S/C28H25FN4O6/c1-18(34)32-19-10-12-20(13-11-19)33(25(35)17-31-27(36)24-9-5-15-39-24)26(22-7-2-3-8-23(22)29)28(37)30-16-21-6-4-14-38-21/h2-15,26H,16-17H2,1H3,(H,30,37)(H,31,36)(H,32,34)/t26-/m1/s1
• InChIKey: UZNLCJNMRILMKY-AREMUKBSSA-N
• XLogP: 3.79
• TPSA: 133.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.53
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide (CID 92533739) is N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide is CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NCc2ccco2)c2ccccc2F)cc1.

What is the InChIKey of N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is UZNLCJNMRILMKY-AREMUKBSSA-N. The full InChI is InChI=1S/C28H25FN4O6/c1-18(34)32-19-10-12-20(13-11-19)33(25(35)17-31-27(36)24-9-5-15-39-24)26(22-7-2-3-8-23(22)29)28(37)30-16-21-6-4-14-38-21/h2-15,26H,16-17H2,1H3,(H,30,37)(H,31,36)(H,32,34)/t26-/m1/s1.

What are the key properties of N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 532.53 g/mol, XLogP of 3.79, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-acetamido-N-[(1R)-1-(2-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 92533739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).