N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C22H25BrN4O6S — CID 4966599

IUPACN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)C1=O
InChIInChI=1S/C22H25BrN4O6S/c1-4-22(5-2)20(29)27(21(30)25-22)13-19(28)24-17-12-16(10-11-18(17)33-3)34(31,32)26-15-8-6-14(23)7-9-15/h6-12,26H,4-5,13H2,1-3H3,(H,24,28)(H,25,30)
InChIKeyDFGHSEXLKUZIQY-UHFFFAOYSA-N
MW553.44 g/mol
LogP3.31
Rot. Bonds9

About N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 4966599) has the molecular formula C22H25BrN4O6S and a molecular weight of 553.44 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID4966599
Molecular FormulaC22H25BrN4O6S
Molecular Weight553.44 g/mol
Exact Mass552.07
IUPAC NameN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)C1=O
InChIInChI=1S/C22H25BrN4O6S/c1-4-22(5-2)20(29)27(21(30)25-22)13-19(28)24-17-12-16(10-11-18(17)33-3)34(31,32)26-15-8-6-14(23)7-9-15/h6-12,26H,4-5,13H2,1-3H3,(H,24,28)(H,25,30)
InChIKeyDFGHSEXLKUZIQY-UHFFFAOYSA-N
XLogP3.31
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.44
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2119163
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 4850822
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3962931
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691431
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622579
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 55480502
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
CID 3290288

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 4966599) is N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCC1(CC)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)C1=O.
What is the InChIKey of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is DFGHSEXLKUZIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O6S/c1-4-22(5-2)20(29)27(21(30)25-22)13-19(28)24-17-12-16(10-11-18(17)33-3)34(31,32)26-15-8-6-14(23)7-9-15/h6-12,26H,4-5,13H2,1-3H3,(H,24,28)(H,25,30).
What are the key properties of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 553.44 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4966599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).