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

C17H17N3OS — CID 69065402

IUPACN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
SMILESCCSc1ccc(-c2ccc3c(NC(C)=O)n[nH]c3c2)cc1
InChIInChI=1S/C17H17N3OS/c1-3-22-14-7-4-12(5-8-14)13-6-9-15-16(10-13)19-20-17(15)18-11(2)21/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeySNRCSNNWFKSJJA-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.30
Rot. Bonds4

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

N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide (PubChem CID 69065402) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
PubChem CID69065402
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
SMILESCCSc1ccc(-c2ccc3c(NC(C)=O)n[nH]c3c2)cc1
InChIInChI=1S/C17H17N3OS/c1-3-22-14-7-4-12(5-8-14)13-6-9-15-16(10-13)19-20-17(15)18-11(2)21/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeySNRCSNNWFKSJJA-UHFFFAOYSA-N
XLogP4.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide
CID 69059474
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286
N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
CID 22319566
N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
CID 69091931
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
4-[[6-(4-acetylphenyl)-1H-indazol-3-yl]amino]-4-oxo-3-phenylbutanoic acid
CID 91296701
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69060604
N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
CID 69064173
2-cyclopentyl-N-[6-(4-methylphenyl)-1H-indazol-3-yl]acetamide
CID 69061785
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 69064183
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea
CID 69070012

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide?
The IUPAC name of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide (CID 69065402) is N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide?
The canonical SMILES for N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide is CCSc1ccc(-c2ccc3c(NC(C)=O)n[nH]c3c2)cc1.
What is the InChIKey of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide?
The InChIKey is SNRCSNNWFKSJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-22-14-7-4-12(5-8-14)13-6-9-15-16(10-13)19-20-17(15)18-11(2)21/h4-10H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide?
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 4.30, 4 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]acetamide is sourced from PubChem (CID 69065402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).