N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H20Cl2N4O5S — CID 40776806

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C20H20Cl2N4O5S/c1-20(12-4-6-13(21)7-5-12)18(28)26(19(29)24-20)11-17(27)23-16-10-14(8-9-15(16)22)32(30,31)25(2)3/h4-10H,11H2,1-3H3,(H,23,27)(H,24,29)/t20-/m0/s1
InChIKeyINXTWPPAKXORGX-FQEVSTJZSA-N
MW499.38 g/mol
LogP2.65
Rot. Bonds6

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 40776806) has the molecular formula C20H20Cl2N4O5S and a molecular weight of 499.38 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID40776806
Molecular FormulaC20H20Cl2N4O5S
Molecular Weight499.38 g/mol
Exact Mass498.05
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C20H20Cl2N4O5S/c1-20(12-4-6-13(21)7-5-12)18(28)26(19(29)24-20)11-17(27)23-16-10-14(8-9-15(16)22)32(30,31)25(2)3/h4-10H,11H2,1-3H3,(H,23,27)(H,24,29)/t20-/m0/s1
InChIKeyINXTWPPAKXORGX-FQEVSTJZSA-N
XLogP2.65
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42918890
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 40811632
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4537106
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4664278
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 24819945
5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 2570395
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2107483
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 40776806) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is INXTWPPAKXORGX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20Cl2N4O5S/c1-20(12-4-6-13(21)7-5-12)18(28)26(19(29)24-20)11-17(27)23-16-10-14(8-9-15(16)22)32(30,31)25(2)3/h4-10H,11H2,1-3H3,(H,23,27)(H,24,29)/t20-/m0/s1.
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 499.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40776806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).