2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C23H28N4O5S — CID 4042818

IUPAC2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1=O
InChIInChI=1S/C23H28N4O5S/c1-16(2)14-23(3)21(29)27(22(30)25-23)15-20(28)24-17-9-8-12-19(13-17)33(31,32)26(4)18-10-6-5-7-11-18/h5-13,16H,14-15H2,1-4H3,(H,24,28)(H,25,30)
InChIKeyFANIETVCACLVBZ-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.81
Rot. Bonds8

About 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4042818) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID4042818
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1=O
InChIInChI=1S/C23H28N4O5S/c1-16(2)14-23(3)21(29)27(22(30)25-23)15-20(28)24-17-9-8-12-19(13-17)33(31,32)26(4)18-10-6-5-7-11-18/h5-13,16H,14-15H2,1-4H3,(H,24,28)(H,25,30)
InChIKeyFANIETVCACLVBZ-UHFFFAOYSA-N
XLogP2.81
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.81
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-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 4042818) is 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is CC(C)CC1(C)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1=O.
What is the InChIKey of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is FANIETVCACLVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-16(2)14-23(3)21(29)27(22(30)25-23)15-20(28)24-17-9-8-12-19(13-17)33(31,32)26(4)18-10-6-5-7-11-18/h5-13,16H,14-15H2,1-4H3,(H,24,28)(H,25,30).
What are the key properties of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 472.57 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4042818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).