2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide

C15H27N3O2S — CID 51283315

IUPAC2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSc1nc(C)c(C)n1CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-10(2)7-18-13(5)12(4)17-15(18)21-9-14(19)16-11(3)8-20-6/h10-11H,7-9H2,1-6H3,(H,16,19)
InChIKeyZZVKIMVAZPVCSO-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.40
Rot. Bonds8

About 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 51283315) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID51283315
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSc1nc(C)c(C)n1CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-10(2)7-18-13(5)12(4)17-15(18)21-9-14(19)16-11(3)8-20-6/h10-11H,7-9H2,1-6H3,(H,16,19)
InChIKeyZZVKIMVAZPVCSO-UHFFFAOYSA-N
XLogP2.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51190971
2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 7857578
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29486546
1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 78802553
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 17481207
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 40742538
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40704801
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42936011
methyl 2-[2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647554
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8004014
2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 42971675
N-(2-cyanophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide
CID 7524703

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide (CID 51283315) is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CSc1nc(C)c(C)n1CC(C)C.
What is the InChIKey of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is ZZVKIMVAZPVCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-10(2)7-18-13(5)12(4)17-15(18)21-9-14(19)16-11(3)8-20-6/h10-11H,7-9H2,1-6H3,(H,16,19).
What are the key properties of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 313.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 51283315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).