4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C19H26FN3O3S — CID 91920562

IUPAC4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)CNC(=O)N1CCC2(CC1)N(Cc1cccc(F)c1)C(=O)CS2=O
InChIInChI=1S/C19H26FN3O3S/c1-14(2)11-21-18(25)22-8-6-19(7-9-22)23(17(24)13-27(19)26)12-15-4-3-5-16(20)10-15/h3-5,10,14H,6-9,11-13H2,1-2H3,(H,21,25)
InChIKeySPFQUVBDIKJAEI-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.07
Rot. Bonds4

About 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 91920562) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID91920562
Molecular FormulaC19H26FN3O3S
Molecular Weight395.50 g/mol
Exact Mass395.17
IUPAC Name4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)CNC(=O)N1CCC2(CC1)N(Cc1cccc(F)c1)C(=O)CS2=O
InChIInChI=1S/C19H26FN3O3S/c1-14(2)11-21-18(25)22-8-6-19(7-9-22)23(17(24)13-27(19)26)12-15-4-3-5-16(20)10-15/h3-5,10,14H,6-9,11-13H2,1-2H3,(H,21,25)
InChIKeySPFQUVBDIKJAEI-UHFFFAOYSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 91920562) is 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CC(C)CNC(=O)N1CCC2(CC1)N(Cc1cccc(F)c1)C(=O)CS2=O.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is SPFQUVBDIKJAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-14(2)11-21-18(25)22-8-6-19(7-9-22)23(17(24)13-27(19)26)12-15-4-3-5-16(20)10-15/h3-5,10,14H,6-9,11-13H2,1-2H3,(H,21,25).
What are the key properties of 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 91920562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).