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

C18H23N3O3S — CID 7200096

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)21-17(14-10-25-11-15(14)20-21)19-16(22)9-24-13-7-5-6-12(8-13)23-4/h5-8H,9-11H2,1-4H3,(H,19,22)
InChIKeyGTGFFBPOEKIDGI-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.41
Rot. Bonds5

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

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 7200096) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide
PubChem CID7200096
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)21-17(14-10-25-11-15(14)20-21)19-16(22)9-24-13-7-5-6-12(8-13)23-4/h5-8H,9-11H2,1-4H3,(H,19,22)
InChIKeyGTGFFBPOEKIDGI-UHFFFAOYSA-N
XLogP3.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 7484023
2-(3-methoxyphenoxy)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 40868787
1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 4550397
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide
CID 3495488
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide
CID 4225476
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 11877609
4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 5175415
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 121030671
N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 40868518
N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
CID 30862330
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-iodobenzamide
CID 4083168

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide (CID 7200096) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is GTGFFBPOEKIDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18(2,3)21-17(14-10-25-11-15(14)20-21)19-16(22)9-24-13-7-5-6-12(8-13)23-4/h5-8H,9-11H2,1-4H3,(H,19,22).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 361.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 7200096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).