N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide

C19H25N3O5S — CID 7484613

IUPACN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1
InChIInChI=1S/C19H25N3O5S/c1-5-26-13-6-8-14(9-7-13)27-10-17(23)20-18-15-11-28(24,25)12-16(15)21-22(18)19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,23)
InChIKeyCGJWUVOVQWWOAY-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.48
Rot. Bonds6

About N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide

N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide (PubChem CID 7484613) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide
PubChem CID7484613
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1
InChIInChI=1S/C19H25N3O5S/c1-5-26-13-6-8-14(9-7-13)27-10-17(23)20-18-15-11-28(24,25)12-16(15)21-22(18)19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,23)
InChIKeyCGJWUVOVQWWOAY-UHFFFAOYSA-N
XLogP2.48
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 40868925
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-fluorobenzamide
CID 3634271
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylprop-2-enamide
CID 4565707
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide
CID 7200096
N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
CID 40868993
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689000
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16812402
N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 40868518
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethoxybenzamide
CID 2160239
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide (CID 7484613) is N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1.
What is the InChIKey of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is CGJWUVOVQWWOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-5-26-13-6-8-14(9-7-13)27-10-17(23)20-18-15-11-28(24,25)12-16(15)21-22(18)19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,23).
What are the key properties of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide?
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 407.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 7484613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).