N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C21H24N4O5S — CID 3966275

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C21H24N4O5S/c1-24(2)31(29,30)17-10-6-9-16(13-17)22-19(26)14-25-20(27)18(23-21(25)28)12-11-15-7-4-3-5-8-15/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyAYMHIBHJAJBROP-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.43
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 3966275) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID3966275
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C21H24N4O5S/c1-24(2)31(29,30)17-10-6-9-16(13-17)22-19(26)14-25-20(27)18(23-21(25)28)12-11-15-7-4-3-5-8-15/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyAYMHIBHJAJBROP-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138393379
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138753317
P1 Phenyl Ring, 27
CID 21025981
P1 Phenyl Ring, 24
CID 21025982
P1 Phenyl Ring, 25
CID 21025984
prolyl-2,3-diaminopropionic acid (DAP) scaffold, 30
CID 23634660
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2388085
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]acetamide
CID 155520274
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]acetamide
CID 155534179
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 155535355
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3430764

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 3966275) is N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is AYMHIBHJAJBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-24(2)31(29,30)17-10-6-9-16(13-17)22-19(26)14-25-20(27)18(23-21(25)28)12-11-15-7-4-3-5-8-15/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 3966275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).