N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide

C15H25NO3S — CID 91162688

IUPACN-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide
SMILESCC(C)(CCOC(C)(C)CCO)NC(=O)c1ccsc1
InChIInChI=1S/C15H25NO3S/c1-14(2,7-9-19-15(3,4)6-8-17)16-13(18)12-5-10-20-11-12/h5,10-11,17H,6-9H2,1-4H3,(H,16,18)
InChIKeyNZZFOGZDBXCWCJ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.82
Rot. Bonds8

About N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide

N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide (PubChem CID 91162688) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide
PubChem CID91162688
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide
SMILESCC(C)(CCOC(C)(C)CCO)NC(=O)c1ccsc1
InChIInChI=1S/C15H25NO3S/c1-14(2,7-9-19-15(3,4)6-8-17)16-13(18)12-5-10-20-11-12/h5,10-11,17H,6-9H2,1-4H3,(H,16,18)
InChIKeyNZZFOGZDBXCWCJ-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide 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-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide (CID 91162688) is N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide is CC(C)(CCOC(C)(C)CCO)NC(=O)c1ccsc1.
What is the InChIKey of N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide?
The InChIKey is NZZFOGZDBXCWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-14(2,7-9-19-15(3,4)6-8-17)16-13(18)12-5-10-20-11-12/h5,10-11,17H,6-9H2,1-4H3,(H,16,18).
What are the key properties of N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide?
N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 91162688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).