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

C21H29ClN4O5S — CID 55311974

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1
InChIInChI=1S/C21H29ClN4O5S/c1-4-25(5-2)32(30,31)15-9-10-16(22)17(13-15)23-18(27)14-26-19(28)21(24(3)20(26)29)11-7-6-8-12-21/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,23,27)
InChIKeyAOHJQYYEPYMVEY-UHFFFAOYSA-N
MW485.01 g/mol
LogP2.91
Rot. Bonds7

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

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55311974) has the molecular formula C21H29ClN4O5S and a molecular weight of 485.01 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55311974
Molecular FormulaC21H29ClN4O5S
Molecular Weight485.01 g/mol
Exact Mass484.15
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1
InChIInChI=1S/C21H29ClN4O5S/c1-4-25(5-2)32(30,31)15-9-10-16(22)17(13-15)23-18(27)14-26-19(28)21(24(3)20(26)29)11-7-6-8-12-21/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,23,27)
InChIKeyAOHJQYYEPYMVEY-UHFFFAOYSA-N
XLogP2.91
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31931110
N-(3,5-dichlorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850278
2-chloro-N,N-diethyl-4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzamide
CID 55673171
N-(3-chloro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7535920
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34947284
N-(2,5-dimethylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850304
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55343278
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43068422
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)acetamide
CID 55887302
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51251681

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55311974) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is AOHJQYYEPYMVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O5S/c1-4-25(5-2)32(30,31)15-9-10-16(22)17(13-15)23-18(27)14-26-19(28)21(24(3)20(26)29)11-7-6-8-12-21/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,23,27).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 485.01 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55311974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).