2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide

C25H30N4O5S — CID 25390793

IUPAC2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2C)c1
InChIInChI=1S/C25H30N4O5S/c1-16-7-6-9-20(13-16)28-35(33,34)21-14-19(11-10-17(21)2)26-22(30)15-29-23(31)25(27-24(29)32)12-5-4-8-18(25)3/h6-7,9-11,13-14,18,28H,4-5,8,12,15H2,1-3H3,(H,26,30)(H,27,32)/t18-,25+/m1/s1
InChIKeyPUZYKTMFYXANMU-CJAUYULYSA-N
MW498.61 g/mol
LogP3.54
Rot. Bonds6

About 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide

2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 25390793) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID25390793
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2C)c1
InChIInChI=1S/C25H30N4O5S/c1-16-7-6-9-20(13-16)28-35(33,34)21-14-19(11-10-17(21)2)26-22(30)15-29-23(31)25(27-24(29)32)12-5-4-8-18(25)3/h6-7,9-11,13-14,18,28H,4-5,8,12,15H2,1-3H3,(H,26,30)(H,27,32)/t18-,25+/m1/s1
InChIKeyPUZYKTMFYXANMU-CJAUYULYSA-N
XLogP3.54
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524
N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703428
N-(3-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703426
N-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51592951
N-(3-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703513
N-(3-cyanophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703516
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24671745
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42975246
N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119438447
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30875277

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide (CID 25390793) is 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2C)c1.
What is the InChIKey of 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is PUZYKTMFYXANMU-CJAUYULYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-16-7-6-9-20(13-16)28-35(33,34)21-14-19(11-10-17(21)2)26-22(30)15-29-23(31)25(27-24(29)32)12-5-4-8-18(25)3/h6-7,9-11,13-14,18,28H,4-5,8,12,15H2,1-3H3,(H,26,30)(H,27,32)/t18-,25+/m1/s1.
What are the key properties of 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 498.61 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25390793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).