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

C21H24N4O5S — CID 41153699

IUPAC2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C21H24N4O5S/c1-2-21(16-6-4-3-5-7-16)19(27)25(20(28)24-21)14-18(26)23-13-12-15-8-10-17(11-9-15)31(22,29)30/h3-11H,2,12-14H2,1H3,(H,23,26)(H,24,28)(H2,22,29,30)/t21-/m1/s1
InChIKeyBSPLTXFLQHPZSO-OAQYLSRUSA-N
MW444.51 g/mol
LogP0.85
Rot. Bonds8

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

2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 41153699) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID41153699
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C21H24N4O5S/c1-2-21(16-6-4-3-5-7-16)19(27)25(20(28)24-21)14-18(26)23-13-12-15-8-10-17(11-9-15)31(22,29)30/h3-11H,2,12-14H2,1H3,(H,23,26)(H,24,28)(H2,22,29,30)/t21-/m1/s1
InChIKeyBSPLTXFLQHPZSO-OAQYLSRUSA-N
XLogP0.85
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 50.85
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-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7179355
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000677
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439994
N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46583189
N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7487201
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595537
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595536
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7622192

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 41153699) is 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is BSPLTXFLQHPZSO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-2-21(16-6-4-3-5-7-16)19(27)25(20(28)24-21)14-18(26)23-13-12-15-8-10-17(11-9-15)31(22,29)30/h3-11H,2,12-14H2,1H3,(H,23,26)(H,24,28)(H2,22,29,30)/t21-/m1/s1.
What are the key properties of 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 41153699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).