N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C20H29N3O3S — CID 3967620

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCSCCC1NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O
InChIInChI=1S/C20H29N3O3S/c1-12(2)14-7-6-8-15(13(3)4)18(14)22-17(24)11-23-19(25)16(9-10-27-5)21-20(23)26/h6-8,12-13,16H,9-11H2,1-5H3,(H,21,26)(H,22,24)
InChIKeyDJPKGPSYUDELTN-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.55
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3967620) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID3967620
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCSCCC1NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O
InChIInChI=1S/C20H29N3O3S/c1-12(2)14-7-6-8-15(13(3)4)18(14)22-17(24)11-23-19(25)16(9-10-27-5)21-20(23)26/h6-8,12-13,16H,9-11H2,1-5H3,(H,21,26)(H,22,24)
InChIKeyDJPKGPSYUDELTN-UHFFFAOYSA-N
XLogP3.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2412287
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17424171
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40895375
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26860666
butyl 4-[[2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 55305807
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41124220
N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2402895
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660949

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3967620) is N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CSCCC1NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DJPKGPSYUDELTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-12(2)14-7-6-8-15(13(3)4)18(14)22-17(24)11-23-19(25)16(9-10-27-5)21-20(23)26/h6-8,12-13,16H,9-11H2,1-5H3,(H,21,26)(H,22,24).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 391.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3967620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).