3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide

C18H25N3O4S — CID 124863370

IUPAC3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
SMILESCSCC[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H25N3O4S/c1-26-10-9-14(12-22)19-16(23)8-7-15-17(24)21(18(25)20-15)11-13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3,(H,19,23)(H,20,25)/t14-,15-/m1/s1
InChIKeyRTEAVNAKUIHHCZ-HUUCEWRRSA-N
MW379.48 g/mol
LogP1.12
Rot. Bonds10

About 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide

3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide (PubChem CID 124863370) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
PubChem CID124863370
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
SMILESCSCC[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H25N3O4S/c1-26-10-9-14(12-22)19-16(23)8-7-15-17(24)21(18(25)20-15)11-13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3,(H,19,23)(H,20,25)/t14-,15-/m1/s1
InChIKeyRTEAVNAKUIHHCZ-HUUCEWRRSA-N
XLogP1.12
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210527
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864251
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864253
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 124864584
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 110209925
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide
CID 110210087
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 86207145
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 124861231
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638711
3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)propanamide
CID 135639555
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide?
The IUPAC name of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide (CID 124863370) is 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide.
What is the SMILES notation for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide?
The canonical SMILES for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide is CSCC[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide?
The InChIKey is RTEAVNAKUIHHCZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-26-10-9-14(12-22)19-16(23)8-7-15-17(24)21(18(25)20-15)11-13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3,(H,19,23)(H,20,25)/t14-,15-/m1/s1.
What are the key properties of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide?
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide has a molecular weight of 379.48 g/mol, XLogP of 1.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide is sourced from PubChem (CID 124863370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).