N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide

C17H22FN3O4S — CID 32678207

IUPACN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O4S/c18-14-6-4-13(5-7-14)12-26(24,25)19-10-3-11-21-15(22)17(20-16(21)23)8-1-2-9-17/h4-7,19H,1-3,8-12H2,(H,20,23)
InChIKeyAMYAMYQKVGDPES-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.50
Rot. Bonds7

About N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 32678207) has the molecular formula C17H22FN3O4S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID32678207
Molecular FormulaC17H22FN3O4S
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O4S/c18-14-6-4-13(5-7-14)12-26(24,25)19-10-3-11-21-15(22)17(20-16(21)23)8-1-2-9-17/h4-7,19H,1-3,8-12H2,(H,20,23)
InChIKeyAMYAMYQKVGDPES-UHFFFAOYSA-N
XLogP1.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-(3-fluorophenyl)propanamide
CID 43048068
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide
CID 166185491
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 47010170
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 32651025
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide (CID 32678207) is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide is O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is AMYAMYQKVGDPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4S/c18-14-6-4-13(5-7-14)12-26(24,25)19-10-3-11-21-15(22)17(20-16(21)23)8-1-2-9-17/h4-7,19H,1-3,8-12H2,(H,20,23).
What are the key properties of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 383.45 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 32678207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).