N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide

C22H25FN4O5S — CID 155370232

About N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide (PubChem CID 155370232) has the molecular formula C22H25FN4O5S and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide
• PubChem CID: 155370232
• Molecular Formula: C22H25FN4O5S
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.15
• IUPAC Name: N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide
• SMILES: C[C@@H](NS(=O)(=O)CCc1cccc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
• InChI: InChI=1S/C22H25FN4O5S/c1-14(16-7-8-18(23)19(11-16)32-13-15-5-6-15)26-33(30,31)10-9-17-3-2-4-20(24-17)27-12-21(28)25-22(27)29/h2-4,7-8,11,14-15,26H,5-6,9-10,12-13H2,1H3,(H,25,28,29)/t14-/m1/s1
• InChIKey: FHMZYXWCJCKNGP-CQSZACIVSA-N
• XLogP: 2.29
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide?

The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide (CID 155370232) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide.

What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide?

The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide is C[C@@H](NS(=O)(=O)CCc1cccc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1.

What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide?

The InChIKey is FHMZYXWCJCKNGP-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25FN4O5S/c1-14(16-7-8-18(23)19(11-16)32-13-15-5-6-15)26-33(30,31)10-9-17-3-2-4-20(24-17)27-12-21(28)25-22(27)29/h2-4,7-8,11,14-15,26H,5-6,9-10,12-13H2,1H3,(H,25,28,29)/t14-/m1/s1.

What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide?

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide has a molecular weight of 476.53 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[6-(2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 155370232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).