N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide

C16H19NO2S — CID 52992675

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1cccs1
InChIInChI=1S/C16H19NO2S/c1-16(19,10-9-13-6-3-2-4-7-13)12-17-15(18)14-8-5-11-20-14/h2-8,11,19H,9-10,12H2,1H3,(H,17,18)
InChIKeyUMTYASONJVJHEP-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide (PubChem CID 52992675) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide
PubChem CID52992675
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1cccs1
InChIInChI=1S/C16H19NO2S/c1-16(19,10-9-13-6-3-2-4-7-13)12-17-15(18)14-8-5-11-20-14/h2-8,11,19H,9-10,12H2,1H3,(H,17,18)
InChIKeyUMTYASONJVJHEP-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide (CID 52992675) is N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide is CC(O)(CCc1ccccc1)CNC(=O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide?
The InChIKey is UMTYASONJVJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(19,10-9-13-6-3-2-4-7-13)12-17-15(18)14-8-5-11-20-14/h2-8,11,19H,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 52992675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).