1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione

C24H35FN2O5S — CID 146861116

IUPAC1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCC(C)(C)C(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C24H35FN2O5S/c1-24(2,3)19(18-9-10-20(25)21(13-18)32-15-17-7-8-17)16-33(30,31)12-6-4-5-11-27-14-22(28)26-23(27)29/h9-10,13,17,19H,4-8,11-12,14-16H2,1-3H3,(H,26,28,29)
InChIKeySKRBPDHKQRUAQZ-UHFFFAOYSA-N
MW482.62 g/mol
LogP3.88
Rot. Bonds12

About 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione

1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione (PubChem CID 146861116) has the molecular formula C24H35FN2O5S and a molecular weight of 482.62 g/mol. Its IUPAC name is 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
PubChem CID146861116
Molecular FormulaC24H35FN2O5S
Molecular Weight482.62 g/mol
Exact Mass482.23
IUPAC Name1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCC(C)(C)C(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C24H35FN2O5S/c1-24(2,3)19(18-9-10-20(25)21(13-18)32-15-17-7-8-17)16-33(30,31)12-6-4-5-11-27-14-22(28)26-23(27)29/h9-10,13,17,19H,4-8,11-12,14-16H2,1-3H3,(H,26,28,29)
InChIKeySKRBPDHKQRUAQZ-UHFFFAOYSA-N
XLogP3.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione (CID 146861116) is 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione is CC(C)(C)C(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione?
The InChIKey is SKRBPDHKQRUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN2O5S/c1-24(2,3)19(18-9-10-20(25)21(13-18)32-15-17-7-8-17)16-33(30,31)12-6-4-5-11-27-14-22(28)26-23(27)29/h9-10,13,17,19H,4-8,11-12,14-16H2,1-3H3,(H,26,28,29).
What are the key properties of 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione?
1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione has a molecular weight of 482.62 g/mol, XLogP of 3.88, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146861116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).