N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide

C18H19N3OS — CID 22319566

IUPACN-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(SC)cc3)ccc12
InChIInChI=1S/C18H19N3OS/c1-3-4-17(22)19-18-15-10-7-13(11-16(15)20-21-18)12-5-8-14(23-2)9-6-12/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)
InChIKeyRZKXFFCKOVPURJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.69
Rot. Bonds5

About N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide

N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319566) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319566
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(SC)cc3)ccc12
InChIInChI=1S/C18H19N3OS/c1-3-4-17(22)19-18-15-10-7-13(11-16(15)20-21-18)12-5-8-14(23-2)9-6-12/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)
InChIKeyRZKXFFCKOVPURJ-UHFFFAOYSA-N
XLogP4.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
CID 69065883
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide
CID 69059474
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
CID 69065402
N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
CID 135848037
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286
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
2-cyclopentyl-N-[6-(4-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060428
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
CID 162674603
N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
CID 60735515
N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
CID 69091931

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide (CID 22319566) is N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(SC)cc3)ccc12.
What is the InChIKey of N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is RZKXFFCKOVPURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-4-17(22)19-18-15-10-7-13(11-16(15)20-21-18)12-5-8-14(23-2)9-6-12/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide?
N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 325.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).