2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C22H26N4O5S — CID 2087406

IUPAC2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C22H26N4O5S/c1-21(2,3)14-5-7-15(8-6-14)22(4)19(28)26(20(29)25-22)13-18(27)24-16-9-11-17(12-10-16)32(23,30)31/h5-12H,13H2,1-4H3,(H,24,27)(H,25,29)(H2,23,30,31)/t22-/m1/s1
InChIKeyUNCLEWOAFZSPIQ-JOCHJYFZSA-N
MW458.54 g/mol
LogP2.04
Rot. Bonds5

About 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2087406) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2087406
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C22H26N4O5S/c1-21(2,3)14-5-7-15(8-6-14)22(4)19(28)26(20(29)25-22)13-18(27)24-16-9-11-17(12-10-16)32(23,30)31/h5-12H,13H2,1-4H3,(H,24,27)(H,25,29)(H2,23,30,31)/t22-/m1/s1
InChIKeyUNCLEWOAFZSPIQ-JOCHJYFZSA-N
XLogP2.04
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.04
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-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4993844
N-(4-tert-butylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595762
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2488720
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 40811632
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46671942
ethyl (E)-3-[4-[[2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]prop-2-enoate
CID 24566084
4-[1-(2-cyclopropyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155527664
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
CID 25415299
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18272609
4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155532792

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 2087406) is 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide is CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1.
What is the InChIKey of 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is UNCLEWOAFZSPIQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-21(2,3)14-5-7-15(8-6-14)22(4)19(28)26(20(29)25-22)13-18(27)24-16-9-11-17(12-10-16)32(23,30)31/h5-12H,13H2,1-4H3,(H,24,27)(H,25,29)(H2,23,30,31)/t22-/m1/s1.
What are the key properties of 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 458.54 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2087406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).