N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide

C16H27NO2S — CID 138007899

IUPACN-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(C)(C)O)C(=O)c1ccc(CC(C)C)s1
InChIInChI=1S/C16H27NO2S/c1-6-9-17(11-16(4,5)19)15(18)14-8-7-13(20-14)10-12(2)3/h7-8,12,19H,6,9-11H2,1-5H3
InChIKeyIKCBZCOFKLWHQW-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.57
Rot. Bonds7

About N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide

N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide (PubChem CID 138007899) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide
PubChem CID138007899
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(C)(C)O)C(=O)c1ccc(CC(C)C)s1
InChIInChI=1S/C16H27NO2S/c1-6-9-17(11-16(4,5)19)15(18)14-8-7-13(20-14)10-12(2)3/h7-8,12,19H,6,9-11H2,1-5H3
InChIKeyIKCBZCOFKLWHQW-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide (CID 138007899) is N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide is CCCN(CC(C)(C)O)C(=O)c1ccc(CC(C)C)s1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide?
The InChIKey is IKCBZCOFKLWHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-9-17(11-16(4,5)19)15(18)14-8-7-13(20-14)10-12(2)3/h7-8,12,19H,6,9-11H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide has a molecular weight of 297.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 138007899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).