2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide

C22H19N3O2S — CID 69063393

IUPAC2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccccc3SC)ccc12
InChIInChI=1S/C22H19N3O2S/c1-27-19-9-5-3-8-17(19)22(26)23-21-16-12-11-14(13-18(16)24-25-21)15-7-4-6-10-20(15)28-2/h3-13H,1-2H3,(H2,23,24,25,26)
InChIKeyYZSHFVJFGGVARA-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.21
Rot. Bonds5

About 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide

2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 69063393) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
PubChem CID69063393
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccccc3SC)ccc12
InChIInChI=1S/C22H19N3O2S/c1-27-19-9-5-3-8-17(19)22(26)23-21-16-12-11-14(13-18(16)24-25-21)15-7-4-6-10-20(15)28-2/h3-13H,1-2H3,(H2,23,24,25,26)
InChIKeyYZSHFVJFGGVARA-UHFFFAOYSA-N
XLogP5.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
2,3,4,5-tetrafluoro-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 87678026
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69070303
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide (CID 69063393) is 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccccc3SC)ccc12.
What is the InChIKey of 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is YZSHFVJFGGVARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-19-9-5-3-8-17(19)22(26)23-21-16-12-11-14(13-18(16)24-25-21)15-7-4-6-10-20(15)28-2/h3-13H,1-2H3,(H2,23,24,25,26).
What are the key properties of 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide?
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69063393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).