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

C23H25N3O2S — CID 11877794

IUPACN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)C[S@@](=O)C2
InChIInChI=1S/C23H25N3O2S/c1-23(2,3)26-21(18-14-29(28)15-19(18)25-26)24-22(27)20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,20H,14-15H2,1-3H3,(H,24,27)/t29-/m1/s1
InChIKeyRXHRKSFSUJZJTB-GDLZYMKVSA-N
MW407.54 g/mol
LogP4.17
Rot. Bonds4

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

N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide (PubChem CID 11877794) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide
PubChem CID11877794
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)C[S@@](=O)C2
InChIInChI=1S/C23H25N3O2S/c1-23(2,3)26-21(18-14-29(28)15-19(18)25-26)24-22(27)20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,20H,14-15H2,1-3H3,(H,24,27)/t29-/m1/s1
InChIKeyRXHRKSFSUJZJTB-GDLZYMKVSA-N
XLogP4.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide with MolForge

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Related Compounds

(2R)-N-[(5R)-2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylbutanamide
CID 11883517
N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
CID 4191213
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 5067051
1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2,2-diphenylethanone
CID 90501360
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide
CID 18586643
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
CID 2261290
N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
CID 756237
4-benzoyl-N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3441790
N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756276

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide (CID 11877794) is N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide is CC(C)(C)n1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)C[S@@](=O)C2.
What is the InChIKey of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide?
The InChIKey is RXHRKSFSUJZJTB-GDLZYMKVSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-23(2,3)26-21(18-14-29(28)15-19(18)25-26)24-22(27)20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,20H,14-15H2,1-3H3,(H,24,27)/t29-/m1/s1.
What are the key properties of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide?
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide has a molecular weight of 407.54 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 11877794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).