2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C21H30N4O6S — CID 5233496

IUPAC2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCC(C)CCC1(C)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O
InChIInChI=1S/C21H30N4O6S/c1-15(2)8-9-21(3)19(27)25(20(28)23-21)14-18(26)22-16-4-6-17(7-5-16)32(29,30)24-10-12-31-13-11-24/h4-7,15H,8-14H2,1-3H3,(H,22,26)(H,23,28)
InChIKeyCQJOHBFQSMQTFR-UHFFFAOYSA-N
MW466.56 g/mol
LogP1.39
Rot. Bonds8

About 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 5233496) has the molecular formula C21H30N4O6S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID5233496
Molecular FormulaC21H30N4O6S
Molecular Weight466.56 g/mol
Exact Mass466.19
IUPAC Name2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCC(C)CCC1(C)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O
InChIInChI=1S/C21H30N4O6S/c1-15(2)8-9-21(3)19(27)25(20(28)23-21)14-18(26)22-16-4-6-17(7-5-16)32(29,30)24-10-12-31-13-11-24/h4-7,15H,8-14H2,1-3H3,(H,22,26)(H,23,28)
InChIKeyCQJOHBFQSMQTFR-UHFFFAOYSA-N
XLogP1.39
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)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

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2441581
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 40942613
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 42964362
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25401326
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7180713
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804619
N-(4-cyanophenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2084582
N-(3,4-dimethylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804618
2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 98419973
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804611
N-[4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804583
N-(3,5-dichlorophenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804638

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 5233496) is 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CC(C)CCC1(C)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O.
What is the InChIKey of 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is CQJOHBFQSMQTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O6S/c1-15(2)8-9-21(3)19(27)25(20(28)23-21)14-18(26)22-16-4-6-17(7-5-16)32(29,30)24-10-12-31-13-11-24/h4-7,15H,8-14H2,1-3H3,(H,22,26)(H,23,28).
What are the key properties of 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 466.56 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5233496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).