N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide

C14H23NO2S — CID 61247052

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCC(C)CC(CO)NC(=O)CCCc1cccs1
InChIInChI=1S/C14H23NO2S/c1-11(2)9-12(10-16)15-14(17)7-3-5-13-6-4-8-18-13/h4,6,8,11-12,16H,3,5,7,9-10H2,1-2H3,(H,15,17)
InChIKeyVLRGRXXFQBRTOO-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.59
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 61247052) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID61247052
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCC(C)CC(CO)NC(=O)CCCc1cccs1
InChIInChI=1S/C14H23NO2S/c1-11(2)9-12(10-16)15-14(17)7-3-5-13-6-4-8-18-13/h4,6,8,11-12,16H,3,5,7,9-10H2,1-2H3,(H,15,17)
InChIKeyVLRGRXXFQBRTOO-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide (CID 61247052) is N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide is CC(C)CC(CO)NC(=O)CCCc1cccs1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is VLRGRXXFQBRTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(2)9-12(10-16)15-14(17)7-3-5-13-6-4-8-18-13/h4,6,8,11-12,16H,3,5,7,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 269.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 61247052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).