N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide

C18H19N3O2S — CID 69059474

IUPACN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide
SMILESCCSc1ccc(-c2ccc3c(NC(=O)COC)n[nH]c3c2)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-24-14-7-4-12(5-8-14)13-6-9-15-16(10-13)20-21-18(15)19-17(22)11-23-2/h4-10H,3,11H2,1-2H3,(H2,19,20,21,22)
InChIKeyQBEWBPPUEMBCMD-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.93
Rot. Bonds6

About N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide

N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide (PubChem CID 69059474) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide
PubChem CID69059474
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide
SMILESCCSc1ccc(-c2ccc3c(NC(=O)COC)n[nH]c3c2)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-24-14-7-4-12(5-8-14)13-6-9-15-16(10-13)20-21-18(15)19-17(22)11-23-2/h4-10H,3,11H2,1-2H3,(H2,19,20,21,22)
InChIKeyQBEWBPPUEMBCMD-UHFFFAOYSA-N
XLogP3.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
CID 69065402
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286
N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
CID 22319566
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69060604
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
2-cyclopentyl-N-[6-(4-methylphenyl)-1H-indazol-3-yl]acetamide
CID 69061785
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
CID 162674603
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea
CID 69070012
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
CID 162667220
1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
2-cyclopentyl-N-[6-(4-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060428
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide (CID 69059474) is N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide is CCSc1ccc(-c2ccc3c(NC(=O)COC)n[nH]c3c2)cc1.
What is the InChIKey of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide?
The InChIKey is QBEWBPPUEMBCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-24-14-7-4-12(5-8-14)13-6-9-15-16(10-13)20-21-18(15)19-17(22)11-23-2/h4-10H,3,11H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide?
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide has a molecular weight of 341.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 69059474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).