2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H32N6O6S — CID 55498703

IUPAC2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)CC1
InChIInChI=1S/C21H32N6O6S/c1-5-25(6-2)34(31,32)26-12-10-24(11-13-26)15-18(28)23-27-19(29)21(3,22-20(27)30)16-8-7-9-17(14-16)33-4/h7-9,14H,5-6,10-13,15H2,1-4H3,(H,22,30)(H,23,28)
InChIKeyLIYQDPLZBBDNMN-UHFFFAOYSA-N
MW496.59 g/mol
LogP-0.30
Rot. Bonds9

About 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55498703) has the molecular formula C21H32N6O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55498703
Molecular FormulaC21H32N6O6S
Molecular Weight496.59 g/mol
Exact Mass496.21
IUPAC Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)CC1
InChIInChI=1S/C21H32N6O6S/c1-5-25(6-2)34(31,32)26-12-10-24(11-13-26)15-18(28)23-27-19(29)21(3,22-20(27)30)16-8-7-9-17(14-16)33-4/h7-9,14H,5-6,10-13,15H2,1-4H3,(H,22,30)(H,23,28)
InChIKeyLIYQDPLZBBDNMN-UHFFFAOYSA-N
XLogP-0.30
TPSA131.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55469957
2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55468897
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446242
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56570097
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41118340
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553
2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55437036
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55445627
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 42921548
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024
2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24568484

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55498703) is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)CC1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is LIYQDPLZBBDNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O6S/c1-5-25(6-2)34(31,32)26-12-10-24(11-13-26)15-18(28)23-27-19(29)21(3,22-20(27)30)16-8-7-9-17(14-16)33-4/h7-9,14H,5-6,10-13,15H2,1-4H3,(H,22,30)(H,23,28).
What are the key properties of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 496.59 g/mol, XLogP of -0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55498703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).