N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H19F2N3O3S — CID 2457330

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C17H19F2N3O3S/c18-15(19)26-12-6-4-11(5-7-12)20-13(23)10-22-14(24)17(21-16(22)25)8-2-1-3-9-17/h4-7,15H,1-3,8-10H2,(H,20,23)(H,21,25)
InChIKeyUKBYKZLSUKJQOH-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2457330) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2457330
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C17H19F2N3O3S/c18-15(19)26-12-6-4-11(5-7-12)20-13(23)10-22-14(24)17(21-16(22)25)8-2-1-3-9-17/h4-7,15H,1-3,8-10H2,(H,20,23)(H,21,25)
InChIKeyUKBYKZLSUKJQOH-UHFFFAOYSA-N
XLogP3.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2457330) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UKBYKZLSUKJQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c18-15(19)26-12-6-4-11(5-7-12)20-13(23)10-22-14(24)17(21-16(22)25)8-2-1-3-9-17/h4-7,15H,1-3,8-10H2,(H,20,23)(H,21,25).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 383.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2457330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).