2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide

C19H20N4O5S — CID 7179355

IUPAC2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O
InChIInChI=1S/C19H20N4O5S/c1-2-19(13-7-4-3-5-8-13)17(25)23(18(26)22-19)12-16(24)21-14-9-6-10-15(11-14)29(20,27)28/h3-11H,2,12H2,1H3,(H,21,24)(H,22,26)(H2,20,27,28)/t19-/m0/s1
InChIKeyPOYYGHMEBSXTMY-IBGZPJMESA-N
MW416.46 g/mol
LogP1.13
Rot. Bonds6

About 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide

2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 7179355) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID7179355
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O
InChIInChI=1S/C19H20N4O5S/c1-2-19(13-7-4-3-5-8-13)17(25)23(18(26)22-19)12-16(24)21-14-9-6-10-15(11-14)29(20,27)28/h3-11H,2,12H2,1H3,(H,21,24)(H,22,26)(H2,20,27,28)/t19-/m0/s1
InChIKeyPOYYGHMEBSXTMY-IBGZPJMESA-N
XLogP1.13
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.13
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-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090580
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
CID 24658435
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4843996
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 7170161
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 41153699
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-pyridin-3-ylacetamide
CID 31541792
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3263041

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide (CID 7179355) is 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is POYYGHMEBSXTMY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-2-19(13-7-4-3-5-8-13)17(25)23(18(26)22-19)12-16(24)21-14-9-6-10-15(11-14)29(20,27)28/h3-11H,2,12H2,1H3,(H,21,24)(H,22,26)(H2,20,27,28)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 416.46 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 7179355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).