2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide

C15H21N3O5S — CID 110210087

IUPAC2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(CO)NC(=O)CC1NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C15H21N3O5S/c1-24-6-4-10(9-19)16-13(20)7-12-14(21)18(15(22)17-12)8-11-3-2-5-23-11/h2-3,5,10,12,19H,4,6-9H2,1H3,(H,16,20)(H,17,22)
InChIKeyGDAGUZXGQPUPAF-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.32
Rot. Bonds9

About 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide

2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide (PubChem CID 110210087) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide
PubChem CID110210087
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(CO)NC(=O)CC1NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C15H21N3O5S/c1-24-6-4-10(9-19)16-13(20)7-12-14(21)18(15(22)17-12)8-11-3-2-5-23-11/h2-3,5,10,12,19H,4,6-9H2,1H3,(H,16,20)(H,17,22)
InChIKeyGDAGUZXGQPUPAF-UHFFFAOYSA-N
XLogP0.32
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 124861270
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864253
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 124862622
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210427
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
CID 124863370
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 110209925
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 126418599
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639556
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 29136185
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide (CID 110210087) is 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide is CSCCC(CO)NC(=O)CC1NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is GDAGUZXGQPUPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-24-6-4-10(9-19)16-13(20)7-12-14(21)18(15(22)17-12)8-11-3-2-5-23-11/h2-3,5,10,12,19H,4,6-9H2,1H3,(H,16,20)(H,17,22).
What are the key properties of 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide?
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 110210087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).