N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C24H19N5O3S — CID 55622331

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1cccc2nsnc12
InChIInChI=1S/C24H19N5O3S/c30-20(25-18-12-7-13-19-21(18)27-33-26-19)15-29-23(31)22(17-10-5-2-6-11-17)28(24(29)32)14-16-8-3-1-4-9-16/h1-13,22H,14-15H2,(H,25,30)
InChIKeyGXXYXMBIQGMSJB-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.84
Rot. Bonds6

About N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 55622331) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID55622331
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1cccc2nsnc12
InChIInChI=1S/C24H19N5O3S/c30-20(25-18-12-7-13-19-21(18)27-33-26-19)15-29-23(31)22(17-10-5-2-6-11-17)28(24(29)32)14-16-8-3-1-4-9-16/h1-13,22H,14-15H2,(H,25,30)
InChIKeyGXXYXMBIQGMSJB-UHFFFAOYSA-N
XLogP3.84
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 55733350
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
CID 55622502
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55622160
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 78881064
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55622157
N-(2,1,3-benzothiadiazol-4-yl)-2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)acetamide
CID 42979534
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282246
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050081
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-phenylacetate
CID 7874873
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149004
1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-5-phenylimidazolidine-2,4-dione
CID 55733318

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 55622331) is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is O=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is GXXYXMBIQGMSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c30-20(25-18-12-7-13-19-21(18)27-33-26-19)15-29-23(31)22(17-10-5-2-6-11-17)28(24(29)32)14-16-8-3-1-4-9-16/h1-13,22H,14-15H2,(H,25,30).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 457.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55622331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).