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

C21H24N4O5S — CID 46407688

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCN(CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O5S/c1-21(14-13-16-9-5-3-6-10-16)19(27)25(20(28)22-21)23-18(26)15-24(2)31(29,30)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyRQVSEPTXGFKXJW-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.28
Rot. Bonds8

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

2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 46407688) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID46407688
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCN(CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O5S/c1-21(14-13-16-9-5-3-6-10-16)19(27)25(20(28)22-21)23-18(26)15-24(2)31(29,30)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyRQVSEPTXGFKXJW-UHFFFAOYSA-N
XLogP1.28
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 46407688) is 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CN(CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is RQVSEPTXGFKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-21(14-13-16-9-5-3-6-10-16)19(27)25(20(28)22-21)23-18(26)15-24(2)31(29,30)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,22,28)(H,23,26).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 46407688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).