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2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide

C24H35N3O2S — CID 46812725

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n(CC2CCCO2)c1C
InChIInChI=1S/C24H35N3O2S/c1-15(2)20-10-7-11-21(16(3)4)23(20)26-22(28)14-30-24-25-17(5)18(6)27(24)13-19-9-8-12-29-19/h7,10-11,15-16,19H,8-9,12-14H2,1-6H3,(H,26,28)
InChIKeyBDPSIPAWMGHBNB-UHFFFAOYSA-N
MW429.63 g/mol
LogP5.66
Rot. Bonds8

About 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 46812725) has the molecular formula C24H35N3O2S and a molecular weight of 429.63 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID46812725
Molecular FormulaC24H35N3O2S
Molecular Weight429.63 g/mol
Exact Mass429.24
IUPAC Name2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n(CC2CCCO2)c1C
InChIInChI=1S/C24H35N3O2S/c1-15(2)20-10-7-11-21(16(3)4)23(20)26-22(28)14-30-24-25-17(5)18(6)27(24)13-19-9-8-12-29-19/h7,10-11,15-16,19H,8-9,12-14H2,1-6H3,(H,26,28)
InChIKeyBDPSIPAWMGHBNB-UHFFFAOYSA-N
XLogP5.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.63
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 46812725) is 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide is Cc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n(CC2CCCO2)c1C.
What is the InChIKey of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is BDPSIPAWMGHBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2S/c1-15(2)20-10-7-11-21(16(3)4)23(20)26-22(28)14-30-24-25-17(5)18(6)27(24)13-19-9-8-12-29-19/h7,10-11,15-16,19H,8-9,12-14H2,1-6H3,(H,26,28).
What are the key properties of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 429.63 g/mol, XLogP of 5.66, 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-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 46812725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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