2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C15H25N3O4S2 — CID 42936005

IUPAC2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCOCCn1c(SCC(=O)NC2(C)CCS(=O)(=O)C2)nc(C)c1C
InChIInChI=1S/C15H25N3O4S2/c1-11-12(2)18(6-7-22-4)14(16-11)23-9-13(19)17-15(3)5-8-24(20,21)10-15/h5-10H2,1-4H3,(H,17,19)
InChIKeyIVNZQHRBQPGTRL-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.93
Rot. Bonds7

About 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 42936005) has the molecular formula C15H25N3O4S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID42936005
Molecular FormulaC15H25N3O4S2
Molecular Weight375.52 g/mol
Exact Mass375.13
IUPAC Name2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCOCCn1c(SCC(=O)NC2(C)CCS(=O)(=O)C2)nc(C)c1C
InChIInChI=1S/C15H25N3O4S2/c1-11-12(2)18(6-7-22-4)14(16-11)23-9-13(19)17-15(3)5-8-24(20,21)10-15/h5-10H2,1-4H3,(H,17,19)
InChIKeyIVNZQHRBQPGTRL-UHFFFAOYSA-N
XLogP0.93
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide with MolForge

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Related Compounds

2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7870003
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329623
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 9377367
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16539048
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9373882
2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16538734
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 9373371
2-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55640445
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 43301946
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 55640131
N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 51329556

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 42936005) is 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is COCCn1c(SCC(=O)NC2(C)CCS(=O)(=O)C2)nc(C)c1C.
What is the InChIKey of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is IVNZQHRBQPGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2/c1-11-12(2)18(6-7-22-4)14(16-11)23-9-13(19)17-15(3)5-8-24(20,21)10-15/h5-10H2,1-4H3,(H,17,19).
What are the key properties of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 42936005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).