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

C20H21N3OS — CID 69062286

IUPACN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
SMILESCCSc1ccc(-c2ccc3c(NC(=O)C4CCC4)n[nH]c3c2)cc1
InChIInChI=1S/C20H21N3OS/c1-2-25-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(24)14-4-3-5-14/h6-12,14H,2-5H2,1H3,(H2,21,22,23,24)
InChIKeyRGYNQRSQTJMFSE-UHFFFAOYSA-N
MW351.48 g/mol
LogP5.08
Rot. Bonds5

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

N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide (PubChem CID 69062286) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
PubChem CID69062286
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
SMILESCCSc1ccc(-c2ccc3c(NC(=O)C4CCC4)n[nH]c3c2)cc1
InChIInChI=1S/C20H21N3OS/c1-2-25-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(24)14-4-3-5-14/h6-12,14H,2-5H2,1H3,(H2,21,22,23,24)
InChIKeyRGYNQRSQTJMFSE-UHFFFAOYSA-N
XLogP5.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]-2-methoxyacetamide
CID 69059474
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69059640
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]cyclopentanecarboxamide
CID 69065075
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
CID 155535984
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189
N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155807685
N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
CID 22319566
N-[6-(6-oxo-1H-pyridin-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539601

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide (CID 69062286) is N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide is CCSc1ccc(-c2ccc3c(NC(=O)C4CCC4)n[nH]c3c2)cc1.
What is the InChIKey of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The InChIKey is RGYNQRSQTJMFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-2-25-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(24)14-4-3-5-14/h6-12,14H,2-5H2,1H3,(H2,21,22,23,24).
What are the key properties of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide has a molecular weight of 351.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 69062286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).