N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H22FN3O5S — CID 31931110

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN1C(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(=O)C12CCCCC2
InChIInChI=1S/C18H22FN3O5S/c1-21-17(25)22(16(24)18(21)8-4-3-5-9-18)11-15(23)20-14-10-12(28(2,26)27)6-7-13(14)19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,23)
InChIKeyPWIPUKGGYXQHHP-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.76
Rot. Bonds4

About N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 31931110) has the molecular formula C18H22FN3O5S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID31931110
Molecular FormulaC18H22FN3O5S
Molecular Weight411.46 g/mol
Exact Mass411.13
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN1C(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(=O)C12CCCCC2
InChIInChI=1S/C18H22FN3O5S/c1-21-17(25)22(16(24)18(21)8-4-3-5-9-18)11-15(23)20-14-10-12(28(2,26)27)6-7-13(14)19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,23)
InChIKeyPWIPUKGGYXQHHP-UHFFFAOYSA-N
XLogP1.76
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 31931110) is N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN1C(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(=O)C12CCCCC2.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is PWIPUKGGYXQHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5S/c1-21-17(25)22(16(24)18(21)8-4-3-5-9-18)11-15(23)20-14-10-12(28(2,26)27)6-7-13(14)19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,23).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 31931110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).