N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide

C16H17N3OS — CID 22319671

IUPACN-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3cc(C)cs3)ccc12
InChIInChI=1S/C16H17N3OS/c1-3-4-15(20)17-16-12-6-5-11(8-13(12)18-19-16)14-7-10(2)9-21-14/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyVMGJZODBYIXXER-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.34
Rot. Bonds4

About N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide

N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide (PubChem CID 22319671) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide
PubChem CID22319671
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3cc(C)cs3)ccc12
InChIInChI=1S/C16H17N3OS/c1-3-4-15(20)17-16-12-6-5-11(8-13(12)18-19-16)14-7-10(2)9-21-14/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyVMGJZODBYIXXER-UHFFFAOYSA-N
XLogP4.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide (CID 22319671) is N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3cc(C)cs3)ccc12.
What is the InChIKey of N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide?
The InChIKey is VMGJZODBYIXXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-4-15(20)17-16-12-6-5-11(8-13(12)18-19-16)14-7-10(2)9-21-14/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide?
N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide has a molecular weight of 299.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylthiophen-2-yl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).