N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide

C18H23N3O5S — CID 91892540

IUPACN-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
SMILESCC(C)NC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1
InChIInChI=1S/C18H23N3O5S/c1-12(2)19-15(22)14-5-3-13(4-6-14)11-21-16(23)18(20-17(21)24)7-9-27(25,26)10-8-18/h3-6,12H,7-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyXPLWVEIGHLTSFF-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.82
Rot. Bonds4

About N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide

N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide (PubChem CID 91892540) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
PubChem CID91892540
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
SMILESCC(C)NC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1
InChIInChI=1S/C18H23N3O5S/c1-12(2)19-15(22)14-5-3-13(4-6-14)11-21-16(23)18(20-17(21)24)7-9-27(25,26)10-8-18/h3-6,12H,7-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyXPLWVEIGHLTSFF-UHFFFAOYSA-N
XLogP0.82
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide 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 N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide?
The IUPAC name of N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide (CID 91892540) is N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide.
What is the SMILES notation for N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide?
The canonical SMILES for N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide is CC(C)NC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1.
What is the InChIKey of N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide?
The InChIKey is XPLWVEIGHLTSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-12(2)19-15(22)14-5-3-13(4-6-14)11-21-16(23)18(20-17(21)24)7-9-27(25,26)10-8-18/h3-6,12H,7-11H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide?
N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide has a molecular weight of 393.47 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide is sourced from PubChem (CID 91892540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).