2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide

C19H19ClN4O5S — CID 167959655

IUPAC2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H19ClN4O5S/c1-11(16(25)22-14-7-9-15(10-8-14)30(21,28)29)24-17(26)19(2,23-18(24)27)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,22,25)(H,23,27)(H2,21,28,29)
InChIKeyJLMALVBWCLKVAA-UHFFFAOYSA-N
MW450.90 g/mol
LogP1.78
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide

2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 167959655) has the molecular formula C19H19ClN4O5S and a molecular weight of 450.90 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID167959655
Molecular FormulaC19H19ClN4O5S
Molecular Weight450.90 g/mol
Exact Mass450.08
IUPAC Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H19ClN4O5S/c1-11(16(25)22-14-7-9-15(10-8-14)30(21,28)29)24-17(26)19(2,23-18(24)27)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,22,25)(H,23,27)(H2,21,28,29)
InChIKeyJLMALVBWCLKVAA-UHFFFAOYSA-N
XLogP1.78
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 51.78
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

(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 40811632
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528445
(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 7916821
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2087406
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-chlorophenyl)propanamide
CID 7610663
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 41190610
ethyl 2-[[(2S)-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 2452384
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4993844
(2R)-2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 98419905
(4-chlorophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium
CID 2657461
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25347097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide (CID 167959655) is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is JLMALVBWCLKVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O5S/c1-11(16(25)22-14-7-9-15(10-8-14)30(21,28)29)24-17(26)19(2,23-18(24)27)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,22,25)(H,23,27)(H2,21,28,29).
What are the key properties of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 450.90 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 167959655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).