2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide

C15H27N3O3S — CID 7218341

IUPAC2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCOCCn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H27N3O3S/c1-11(2)18(12(3)4)14(20)10-22-15-16-8-13(9-19)17(15)6-7-21-5/h8,11-12,19H,6-7,9-10H2,1-5H3
InChIKeyMOCFFFLCTJDSTI-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.76
Rot. Bonds9

About 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide

2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 7218341) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID7218341
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCOCCn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H27N3O3S/c1-11(2)18(12(3)4)14(20)10-22-15-16-8-13(9-19)17(15)6-7-21-5/h8,11-12,19H,6-7,9-10H2,1-5H3
InChIKeyMOCFFFLCTJDSTI-UHFFFAOYSA-N
XLogP1.76
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide (CID 7218341) is 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide is COCCn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is MOCFFFLCTJDSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-11(2)18(12(3)4)14(20)10-22-15-16-8-13(9-19)17(15)6-7-21-5/h8,11-12,19H,6-7,9-10H2,1-5H3.
What are the key properties of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7218341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).