N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C17H20ClN3O5S — CID 8899442

IUPACN-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C17H20ClN3O5S/c1-27(25,26)11-4-5-12(18)13(10-11)19-14(22)6-9-21-15(23)17(20-16(21)24)7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,19,22)(H,20,24)
InChIKeyKJOXVCWUTOUAMF-UHFFFAOYSA-N
MW413.88 g/mol
LogP1.94
Rot. Bonds5

About N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 8899442) has the molecular formula C17H20ClN3O5S and a molecular weight of 413.88 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID8899442
Molecular FormulaC17H20ClN3O5S
Molecular Weight413.88 g/mol
Exact Mass413.08
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C17H20ClN3O5S/c1-27(25,26)11-4-5-12(18)13(10-11)19-14(22)6-9-21-15(23)17(20-16(21)24)7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,19,22)(H,20,24)
InChIKeyKJOXVCWUTOUAMF-UHFFFAOYSA-N
XLogP1.94
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide 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-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 8899442) is N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is KJOXVCWUTOUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5S/c1-27(25,26)11-4-5-12(18)13(10-11)19-14(22)6-9-21-15(23)17(20-16(21)24)7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 413.88 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 8899442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).