N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide

C13H21NO2S — CID 71787573

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)C(O)CCNC(=O)Cc1cccs1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)11(15)6-7-14-12(16)9-10-5-4-8-17-10/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyJTAWICBRIDVXFL-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.20
Rot. Bonds5

About N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide

N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide (PubChem CID 71787573) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide
PubChem CID71787573
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)C(O)CCNC(=O)Cc1cccs1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)11(15)6-7-14-12(16)9-10-5-4-8-17-10/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyJTAWICBRIDVXFL-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-Butoxypropyl)-2-(2-thienyl)acetamide
CID 2162137
N-(3-methylbutyl)-2-(thiophen-2-yl)acetamide
CID 670146
2-Thiopheneacetamide, N-isobutyl-
CID 836216
N-butyl-2-(thiophen-2-yl)acetamide
CID 1819347
2-Thiopheneacetamide, N-pentyl-
CID 2445132
N-(3-ethoxypropyl)-2-(2-thienyl)acetamide
CID 3668870
N-[(E,2S,3R)-1,3-dihydroxy-5-thiophen-2-ylpent-4-en-2-yl]hexanamide
CID 10613961
N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 71981871
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 72115931
3,3-dimethyl-N-(2-thiophen-2-yl-ethyl)-butyramide
CID 45793475
N-(2-ethylhexyl)-2-(2-thienyl)acetamide
CID 2916095
N-hexyl-2-(2-thienyl)acetamide
CID 3511449

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide (CID 71787573) is N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide is CC(C)(C)C(O)CCNC(=O)Cc1cccs1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide?
The InChIKey is JTAWICBRIDVXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-13(2,3)11(15)6-7-14-12(16)9-10-5-4-8-17-10/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,14,16).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide?
N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide has a molecular weight of 255.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71787573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).