N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide

C16H17N3O2S — CID 111441933

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide
SMILESCC(O)(CNC(=O)Cn1ncc2ccccc21)c1cccs1
InChIInChI=1S/C16H17N3O2S/c1-16(21,14-7-4-8-22-14)11-17-15(20)10-19-13-6-3-2-5-12(13)9-18-19/h2-9,21H,10-11H2,1H3,(H,17,20)
InChIKeyJXLZTWPFQWPHSC-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.12
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide (PubChem CID 111441933) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide
PubChem CID111441933
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide
SMILESCC(O)(CNC(=O)Cn1ncc2ccccc21)c1cccs1
InChIInChI=1S/C16H17N3O2S/c1-16(21,14-7-4-8-22-14)11-17-15(20)10-19-13-6-3-2-5-12(13)9-18-19/h2-9,21H,10-11H2,1H3,(H,17,20)
InChIKeyJXLZTWPFQWPHSC-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111442092
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061
1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide
CID 111442127
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 111720004
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide (CID 111441933) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide is CC(O)(CNC(=O)Cn1ncc2ccccc21)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide?
The InChIKey is JXLZTWPFQWPHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-16(21,14-7-4-8-22-14)11-17-15(20)10-19-13-6-3-2-5-12(13)9-18-19/h2-9,21H,10-11H2,1H3,(H,17,20).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide has a molecular weight of 315.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 111441933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).