2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C20H36N4O2S — CID 55534983

IUPAC2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCCCCn1c(SCC(=O)NCC2CN(CC(C)C)CCO2)nc(C)c1C
InChIInChI=1S/C20H36N4O2S/c1-6-7-8-24-17(5)16(4)22-20(24)27-14-19(25)21-11-18-13-23(9-10-26-18)12-15(2)3/h15,18H,6-14H2,1-5H3,(H,21,25)
InChIKeyILXWAKSWIAVWSK-UHFFFAOYSA-N
MW396.60 g/mol
LogP2.87
Rot. Bonds10

About 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 55534983) has the molecular formula C20H36N4O2S and a molecular weight of 396.60 g/mol. Its IUPAC name is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID55534983
Molecular FormulaC20H36N4O2S
Molecular Weight396.60 g/mol
Exact Mass396.26
IUPAC Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCCCCn1c(SCC(=O)NCC2CN(CC(C)C)CCO2)nc(C)c1C
InChIInChI=1S/C20H36N4O2S/c1-6-7-8-24-17(5)16(4)22-20(24)27-14-19(25)21-11-18-13-23(9-10-26-18)12-15(2)3/h15,18H,6-14H2,1-5H3,(H,21,25)
InChIKeyILXWAKSWIAVWSK-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylacetamide
CID 98684224
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylacetamide
CID 30035436
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 42896713
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35365201
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 74549437
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 18146970
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55547591

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 55534983) is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is CCCCn1c(SCC(=O)NCC2CN(CC(C)C)CCO2)nc(C)c1C.
What is the InChIKey of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is ILXWAKSWIAVWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2S/c1-6-7-8-24-17(5)16(4)22-20(24)27-14-19(25)21-11-18-13-23(9-10-26-18)12-15(2)3/h15,18H,6-14H2,1-5H3,(H,21,25).
What are the key properties of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 396.60 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 55534983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).