N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C19H24ClN3O5S — CID 97058728

IUPACN-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C19H24ClN3O5S/c1-3-29(27,28)15-8-7-13(20)10-14(15)21-16(24)11-23-17(25)19(22-18(23)26)9-5-4-6-12(19)2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,21,24)(H,22,26)/t12-,19-/m0/s1
InChIKeyAYMWCYMPGOMMCH-BUXKBTBVSA-N
MW441.94 g/mol
LogP2.57
Rot. Bonds5

About N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 97058728) has the molecular formula C19H24ClN3O5S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID97058728
Molecular FormulaC19H24ClN3O5S
Molecular Weight441.94 g/mol
Exact Mass441.11
IUPAC NameN-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C19H24ClN3O5S/c1-3-29(27,28)15-8-7-13(20)10-14(15)21-16(24)11-23-17(25)19(22-18(23)26)9-5-4-6-12(19)2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,21,24)(H,22,26)/t12-,19-/m0/s1
InChIKeyAYMWCYMPGOMMCH-BUXKBTBVSA-N
XLogP2.57
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4797462
N-(4-chloro-2-methylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703321
N-(5-chloro-2-methoxyphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703591
N-(5-chloro-2-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181672
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 56530742
N-(2-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703501
N-(2-chloro-4-fluorophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703504
N-(3-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703421
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7479978
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-(2-chloro-5-nitrophenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6598296
N-(2-tert-butylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2643710

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 97058728) is N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is AYMWCYMPGOMMCH-BUXKBTBVSA-N. The full InChI is InChI=1S/C19H24ClN3O5S/c1-3-29(27,28)15-8-7-13(20)10-14(15)21-16(24)11-23-17(25)19(22-18(23)26)9-5-4-6-12(19)2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,21,24)(H,22,26)/t12-,19-/m0/s1.
What are the key properties of N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 441.94 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 97058728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).