3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H20N4O4S — CID 38638293

IUPAC3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSCCN2C(=O)NC(C)(C)C2=O)no1
InChIInChI=1S/C14H20N4O4S/c1-9-8-10(17-22-9)15-11(19)4-6-23-7-5-18-12(20)14(2,3)16-13(18)21/h8H,4-7H2,1-3H3,(H,16,21)(H,15,17,19)
InChIKeyIHAHBUUMJWSHOT-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.38
Rot. Bonds7

About 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 38638293) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID38638293
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSCCN2C(=O)NC(C)(C)C2=O)no1
InChIInChI=1S/C14H20N4O4S/c1-9-8-10(17-22-9)15-11(19)4-6-23-7-5-18-12(20)14(2,3)16-13(18)21/h8H,4-7H2,1-3H3,(H,16,21)(H,15,17,19)
InChIKeyIHAHBUUMJWSHOT-UHFFFAOYSA-N
XLogP1.38
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2435183
2-methyl-3-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]sulfanylpropanoic acid
CID 64914900
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 78788881
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42898026
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2436442
3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47117374
3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 46580993
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2585053
N-(5-methyl-1,2-oxazol-3-yl)-3-(oxan-4-ylsulfanyl)propanamide
CID 75389694
2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55480221
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651654
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2531466

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 38638293) is 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCSCCN2C(=O)NC(C)(C)C2=O)no1.
What is the InChIKey of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is IHAHBUUMJWSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-9-8-10(17-22-9)15-11(19)4-6-23-7-5-18-12(20)14(2,3)16-13(18)21/h8H,4-7H2,1-3H3,(H,16,21)(H,15,17,19).
What are the key properties of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 340.41 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 38638293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).