N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C23H28N4O5S — CID 3657707

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)ccc1C
InChIInChI=1S/C23H28N4O5S/c1-5-26(6-2)33(31,32)19-14-18(13-12-16(19)3)24-20(28)15-27-21(29)23(4,25-22(27)30)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,30)
InChIKeyMRCNPUQDRIEFAP-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.43
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 3657707) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID3657707
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)ccc1C
InChIInChI=1S/C23H28N4O5S/c1-5-26(6-2)33(31,32)19-14-18(13-12-16(19)3)24-20(28)15-27-21(29)23(4,25-22(27)30)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,30)
InChIKeyMRCNPUQDRIEFAP-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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[4.6]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
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
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3430764
N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 16316330
N-(1,1-dioxothiolan-3-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 16317996
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3573716

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 3657707) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is MRCNPUQDRIEFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-5-26(6-2)33(31,32)19-14-18(13-12-16(19)3)24-20(28)15-27-21(29)23(4,25-22(27)30)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,30).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 472.57 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 3657707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).