N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide

C17H27N3O2S — CID 756232

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)CC1CCCCC1)CS(=O)C2
InChIInChI=1S/C17H27N3O2S/c1-17(2,3)20-16(13-10-23(22)11-14(13)19-20)18-15(21)9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,21)
InChIKeyFCRITROYWALSSY-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.31
Rot. Bonds3

About N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide (PubChem CID 756232) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide
PubChem CID756232
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)CC1CCCCC1)CS(=O)C2
InChIInChI=1S/C17H27N3O2S/c1-17(2,3)20-16(13-10-23(22)11-14(13)19-20)18-15(21)9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,21)
InChIKeyFCRITROYWALSSY-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide (CID 756232) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide is CC(C)(C)n1nc2c(c1NC(=O)CC1CCCCC1)CS(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide?
The InChIKey is FCRITROYWALSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-17(2,3)20-16(13-10-23(22)11-14(13)19-20)18-15(21)9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,21).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide has a molecular weight of 337.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 756232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).