N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide

C24H29N3O5S — CID 22584277

IUPACN-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide
SMILESCc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)Nc2cc(C)ccc2C)CC3)cc1
InChIInChI=1S/C24H29N3O5S/c1-17-5-8-20(9-6-17)33(30,31)27-14-15-32-24(27)10-12-26(13-11-24)23(29)22(28)25-21-16-18(2)4-7-19(21)3/h4-9,16H,10-15H2,1-3H3,(H,25,28)
InChIKeyCRECNBBLADSOLO-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.59
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide

N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide (PubChem CID 22584277) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide
PubChem CID22584277
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide
SMILESCc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)Nc2cc(C)ccc2C)CC3)cc1
InChIInChI=1S/C24H29N3O5S/c1-17-5-8-20(9-6-17)33(30,31)27-14-15-32-24(27)10-12-26(13-11-24)23(29)22(28)25-21-16-18(2)4-7-19(21)3/h4-9,16H,10-15H2,1-3H3,(H,25,28)
InChIKeyCRECNBBLADSOLO-UHFFFAOYSA-N
XLogP2.59
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 7295598
[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 20962497
2-(4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 22584149
(4-chloro-3-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 26843529
[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 7295643
[4-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 18564888
ethyl 4-[2-(2,5-dimethylanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108531030
1-[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 20962456
1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone
CID 52918753
N-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide
CID 8659830
2-methoxy-1-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 7295622
N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30126850

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide (CID 22584277) is N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide is Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)Nc2cc(C)ccc2C)CC3)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide?
The InChIKey is CRECNBBLADSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-17-5-8-20(9-6-17)33(30,31)27-14-15-32-24(27)10-12-26(13-11-24)23(29)22(28)25-21-16-18(2)4-7-19(21)3/h4-9,16H,10-15H2,1-3H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide?
N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide has a molecular weight of 471.58 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide is sourced from PubChem (CID 22584277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).