2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

C20H22N4O5S — CID 86207041

IUPAC2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H22N4O5S/c21-30(28,29)16-8-6-15(7-9-16)13-22-18(25)12-17-19(26)24(20(27)23-17)11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,22,25)(H,23,27)(H2,21,28,29)
InChIKeyFHZAIGBSTMUIFZ-UHFFFAOYSA-N
MW430.49 g/mol
LogP0.50
Rot. Bonds8

About 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 86207041) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID86207041
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H22N4O5S/c21-30(28,29)16-8-6-15(7-9-16)13-22-18(25)12-17-19(26)24(20(27)23-17)11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,22,25)(H,23,27)(H2,21,28,29)
InChIKeyFHZAIGBSTMUIFZ-UHFFFAOYSA-N
XLogP0.50
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 71829380
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 99871295
N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 71828246
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 99871045
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 91638372
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
N-(furan-2-ylmethyl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491512
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 122714885

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 86207041) is 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is FHZAIGBSTMUIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c21-30(28,29)16-8-6-15(7-9-16)13-22-18(25)12-17-19(26)24(20(27)23-17)11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,22,25)(H,23,27)(H2,21,28,29).
What are the key properties of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 430.49 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 86207041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).