2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide

C16H15N3O2S — CID 71994539

IUPAC2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccc(NC(=O)Cn2ncc3ccccc32)cc1
InChIInChI=1S/C16H15N3O2S/c1-22(21)14-8-6-13(7-9-14)18-16(20)11-19-15-5-3-2-4-12(15)10-17-19/h2-10H,11H2,1H3,(H,18,20)
InChIKeyIYULIMNHARJQMX-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.41
Rot. Bonds4

About 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide

2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide (PubChem CID 71994539) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
PubChem CID71994539
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccc(NC(=O)Cn2ncc3ccccc32)cc1
InChIInChI=1S/C16H15N3O2S/c1-22(21)14-8-6-13(7-9-14)18-16(20)11-19-15-5-3-2-4-12(15)10-17-19/h2-10H,11H2,1H3,(H,18,20)
InChIKeyIYULIMNHARJQMX-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
N-[4-(2-hydroxyethoxy)phenyl]-2-indazol-1-ylacetamide
CID 111116081
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
CID 71869717
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131952566
2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 71973965

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide?
The IUPAC name of 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide (CID 71994539) is 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide?
The canonical SMILES for 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide is CS(=O)c1ccc(NC(=O)Cn2ncc3ccccc32)cc1.
What is the InChIKey of 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide?
The InChIKey is IYULIMNHARJQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-22(21)14-8-6-13(7-9-14)18-16(20)11-19-15-5-3-2-4-12(15)10-17-19/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide?
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide is sourced from PubChem (CID 71994539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).