N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide

C10H15NO3S — CID 66170415

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
SMILESCC(O)(CO)CNC(=O)Cc1ccsc1
InChIInChI=1S/C10H15NO3S/c1-10(14,7-12)6-11-9(13)4-8-2-3-15-5-8/h2-3,5,12,14H,4,6-7H2,1H3,(H,11,13)
InChIKeyXOUHZQRBUGPGBR-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.15
Rot. Bonds5

About N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide

N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide (PubChem CID 66170415) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
PubChem CID66170415
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
SMILESCC(O)(CO)CNC(=O)Cc1ccsc1
InChIInChI=1S/C10H15NO3S/c1-10(14,7-12)6-11-9(13)4-8-2-3-15-5-8/h2-3,5,12,14H,4,6-7H2,1H3,(H,11,13)
InChIKeyXOUHZQRBUGPGBR-UHFFFAOYSA-N
XLogP0.15
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 66169594
2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169576
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115968855
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
N-(2-chloro-4,4-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 107156940

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide (CID 66170415) is N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide is CC(O)(CO)CNC(=O)Cc1ccsc1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide?
The InChIKey is XOUHZQRBUGPGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(14,7-12)6-11-9(13)4-8-2-3-15-5-8/h2-3,5,12,14H,4,6-7H2,1H3,(H,11,13).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide has a molecular weight of 229.30 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 66170415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).