N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C13H23N5O5S — CID 55436806

IUPACN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1=O
InChIInChI=1S/C13H23N5O5S/c1-4-13(2)11(20)18(12(21)14-13)15-10(19)9-16-5-7-17(8-6-16)24(3,22)23/h4-9H2,1-3H3,(H,14,21)(H,15,19)
InChIKeyNZJJRBIDMJKSLO-UHFFFAOYSA-N
MW361.42 g/mol
LogP-1.68
Rot. Bonds5

About N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 55436806) has the molecular formula C13H23N5O5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID55436806
Molecular FormulaC13H23N5O5S
Molecular Weight361.42 g/mol
Exact Mass361.14
IUPAC NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1=O
InChIInChI=1S/C13H23N5O5S/c1-4-13(2)11(20)18(12(21)14-13)15-10(19)9-16-5-7-17(8-6-16)24(3,22)23/h4-9H2,1-3H3,(H,14,21)(H,15,19)
InChIKeyNZJJRBIDMJKSLO-UHFFFAOYSA-N
XLogP-1.68
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43012937
N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737456
N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 43013305
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43013052
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 30639631
tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 51729430
N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128586
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide
CID 95757827
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 56803060
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 34205711
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9172045
1-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738942

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 55436806) is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CCC1(C)NC(=O)N(NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1=O.
What is the InChIKey of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is NZJJRBIDMJKSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O5S/c1-4-13(2)11(20)18(12(21)14-13)15-10(19)9-16-5-7-17(8-6-16)24(3,22)23/h4-9H2,1-3H3,(H,14,21)(H,15,19).
What are the key properties of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 361.42 g/mol, XLogP of -1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 55436806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).