[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate

C15H18N4O7S — CID 43032985

IUPAC[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate
SMILESCCC1(C)NC(=O)N(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C15H18N4O7S/c1-3-15(2)13(22)19(14(23)17-15)18-11(20)8-26-12(21)9-4-6-10(7-5-9)27(16,24)25/h4-7H,3,8H2,1-2H3,(H,17,23)(H,18,20)(H2,16,24,25)
InChIKeyDUVYQASQAYVODV-UHFFFAOYSA-N
MW398.40 g/mol
LogP-0.76
Rot. Bonds6

About [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate

[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate (PubChem CID 43032985) has the molecular formula C15H18N4O7S and a molecular weight of 398.40 g/mol. Its IUPAC name is [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate
PubChem CID43032985
Molecular FormulaC15H18N4O7S
Molecular Weight398.40 g/mol
Exact Mass398.09
IUPAC Name[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate
SMILESCCC1(C)NC(=O)N(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C15H18N4O7S/c1-3-15(2)13(22)19(14(23)17-15)18-11(20)8-26-12(21)9-4-6-10(7-5-9)27(16,24)25/h4-7H,3,8H2,1-2H3,(H,17,23)(H,18,20)(H2,16,24,25)
InChIKeyDUVYQASQAYVODV-UHFFFAOYSA-N
XLogP-0.76
TPSA164.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 16564815
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 9018249
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346853
2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 17459336
4-O-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239618
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9172045
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate
CID 43032849
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
CID 24531240
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604268
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290607
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290608
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 41083016

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate?
The IUPAC name of [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate (CID 43032985) is [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate.
What is the SMILES notation for [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate?
The canonical SMILES for [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate is CCC1(C)NC(=O)N(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate?
The InChIKey is DUVYQASQAYVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O7S/c1-3-15(2)13(22)19(14(23)17-15)18-11(20)8-26-12(21)9-4-6-10(7-5-9)27(16,24)25/h4-7H,3,8H2,1-2H3,(H,17,23)(H,18,20)(H2,16,24,25).
What are the key properties of [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate?
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate has a molecular weight of 398.40 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 4-sulfamoylbenzoate is sourced from PubChem (CID 43032985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).