N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide

C12H17NO2S — CID 52992730

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide
SMILESCC(O)(CNC(=O)Cc1cccs1)C1CC1
InChIInChI=1S/C12H17NO2S/c1-12(15,9-4-5-9)8-13-11(14)7-10-3-2-6-16-10/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyCKZDMONVKCXENN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.57
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide

N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide (PubChem CID 52992730) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide
PubChem CID52992730
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide
SMILESCC(O)(CNC(=O)Cc1cccs1)C1CC1
InChIInChI=1S/C12H17NO2S/c1-12(15,9-4-5-9)8-13-11(14)7-10-3-2-6-16-10/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyCKZDMONVKCXENN-UHFFFAOYSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide (CID 52992730) is N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide is CC(O)(CNC(=O)Cc1cccs1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide?
The InChIKey is CKZDMONVKCXENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(15,9-4-5-9)8-13-11(14)7-10-3-2-6-16-10/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,13,14).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 52992730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).