(5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

C17H24N2O3S — CID 33292692

IUPAC(5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c(C)s1
InChIInChI=1S/C17H24N2O3S/c1-10(2)6-7-17(5)15(21)19(16(22)18-17)9-14(20)13-8-11(3)23-12(13)4/h8,10H,6-7,9H2,1-5H3,(H,18,22)/t17-/m0/s1
InChIKeyCLGXRKYNJUTOLH-KRWDZBQOSA-N
MW336.46 g/mol
LogP3.29
Rot. Bonds6

About (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

(5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 33292692) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID33292692
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c(C)s1
InChIInChI=1S/C17H24N2O3S/c1-10(2)6-7-17(5)15(21)19(16(22)18-17)9-14(20)13-8-11(3)23-12(13)4/h8,10H,6-7,9H2,1-5H3,(H,18,22)/t17-/m0/s1
InChIKeyCLGXRKYNJUTOLH-KRWDZBQOSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 16583784
(5R)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180609
3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4804588
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4810317
3-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4804597
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 4810319
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7180650
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7180641
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 42964362
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2436442
N-(3,4-dimethylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804618
ethyl 5-ethyl-2-[[2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 7180652

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 33292692) is (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c(C)s1.
What is the InChIKey of (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is CLGXRKYNJUTOLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-10(2)6-7-17(5)15(21)19(16(22)18-17)9-14(20)13-8-11(3)23-12(13)4/h8,10H,6-7,9H2,1-5H3,(H,18,22)/t17-/m0/s1.
What are the key properties of (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
(5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 33292692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).