3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide

C23H34FN3O6S — CID 170116672

IUPAC3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide
SMILESCC(C)(C)COc1cc(C2(NS(=O)(=O)CCCOCN3C(=O)NC(=O)C3(C)C)CC2)ccc1F
InChIInChI=1S/C23H34FN3O6S/c1-21(2,3)14-33-18-13-16(7-8-17(18)24)23(9-10-23)26-34(30,31)12-6-11-32-15-27-20(29)25-19(28)22(27,4)5/h7-8,13,26H,6,9-12,14-15H2,1-5H3,(H,25,28,29)
InChIKeyNYNGHPPTPMHVHN-UHFFFAOYSA-N
MW499.61 g/mol
LogP2.85
Rot. Bonds11

About 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide

3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide (PubChem CID 170116672) has the molecular formula C23H34FN3O6S and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide
PubChem CID170116672
Molecular FormulaC23H34FN3O6S
Molecular Weight499.61 g/mol
Exact Mass499.22
IUPAC Name3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide
SMILESCC(C)(C)COc1cc(C2(NS(=O)(=O)CCCOCN3C(=O)NC(=O)C3(C)C)CC2)ccc1F
InChIInChI=1S/C23H34FN3O6S/c1-21(2,3)14-33-18-13-16(7-8-17(18)24)23(9-10-23)26-34(30,31)12-6-11-32-15-27-20(29)25-19(28)22(27,4)5/h7-8,13,26H,6,9-12,14-15H2,1-5H3,(H,25,28,29)
InChIKeyNYNGHPPTPMHVHN-UHFFFAOYSA-N
XLogP2.85
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide?
The IUPAC name of 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide (CID 170116672) is 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide.
What is the SMILES notation for 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide?
The canonical SMILES for 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide is CC(C)(C)COc1cc(C2(NS(=O)(=O)CCCOCN3C(=O)NC(=O)C3(C)C)CC2)ccc1F.
What is the InChIKey of 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide?
The InChIKey is NYNGHPPTPMHVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O6S/c1-21(2,3)14-33-18-13-16(7-8-17(18)24)23(9-10-23)26-34(30,31)12-6-11-32-15-27-20(29)25-19(28)22(27,4)5/h7-8,13,26H,6,9-12,14-15H2,1-5H3,(H,25,28,29).
What are the key properties of 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide?
3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide has a molecular weight of 499.61 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methoxy]-N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]propane-1-sulfonamide is sourced from PubChem (CID 170116672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).