(4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one

C22H25FN2O4S — CID 92575401

IUPAC(4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(S(=O)(=O)CCOc3ccccc3)C[C@H]2c2cccc(F)c2)N1
InChIInChI=1S/C22H25FN2O4S/c23-18-7-4-6-17(14-18)20-15-25(16-22(20)11-5-10-21(26)24-22)30(27,28)13-12-29-19-8-2-1-3-9-19/h1-4,6-9,14,20H,5,10-13,15-16H2,(H,24,26)/t20-,22+/m0/s1
InChIKeyLZHGWAPPRXHGBK-RBBKRZOGSA-N
MW432.52 g/mol
LogP2.67
Rot. Bonds6

About (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92575401) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92575401
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC Name(4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(S(=O)(=O)CCOc3ccccc3)C[C@H]2c2cccc(F)c2)N1
InChIInChI=1S/C22H25FN2O4S/c23-18-7-4-6-17(14-18)20-15-25(16-22(20)11-5-10-21(26)24-22)30(27,28)13-12-29-19-8-2-1-3-9-19/h1-4,6-9,14,20H,5,10-13,15-16H2,(H,24,26)/t20-,22+/m0/s1
InChIKeyLZHGWAPPRXHGBK-RBBKRZOGSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one (CID 92575401) is (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(S(=O)(=O)CCOc3ccccc3)C[C@H]2c2cccc(F)c2)N1.
What is the InChIKey of (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is LZHGWAPPRXHGBK-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c23-18-7-4-6-17(14-18)20-15-25(16-22(20)11-5-10-21(26)24-22)30(27,28)13-12-29-19-8-2-1-3-9-19/h1-4,6-9,14,20H,5,10-13,15-16H2,(H,24,26)/t20-,22+/m0/s1.
What are the key properties of (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 432.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92575401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).