2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H19N3O4S — CID 40813349

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)c1
InChIInChI=1S/C18H19N3O4S/c1-11-6-7-13(12(2)9-11)26-10-15(22)20-21-16(23)18(3,19-17(21)24)14-5-4-8-25-14/h4-9H,10H2,1-3H3,(H,19,24)(H,20,22)/t18-/m0/s1
InChIKeyKTBIBWQCPXIADN-SFHVURJKSA-N
MW373.43 g/mol
LogP2.49
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 40813349) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID40813349
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)c1
InChIInChI=1S/C18H19N3O4S/c1-11-6-7-13(12(2)9-11)26-10-15(22)20-21-16(23)18(3,19-17(21)24)14-5-4-8-25-14/h4-9H,10H2,1-3H3,(H,19,24)(H,20,22)/t18-/m0/s1
InChIKeyKTBIBWQCPXIADN-SFHVURJKSA-N
XLogP2.49
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43004534
2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40813223
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022
4-acetamido-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]benzamide
CID 40803729
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 92786814
2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 29318902
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17450041
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
2-[furan-2-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8619208
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25398993
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 7247473
N-(5-fluoro-2-methylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18098998

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 40813349) is 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is KTBIBWQCPXIADN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-6-7-13(12(2)9-11)26-10-15(22)20-21-16(23)18(3,19-17(21)24)14-5-4-8-25-14/h4-9H,10H2,1-3H3,(H,19,24)(H,20,22)/t18-/m0/s1.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40813349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).