N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide

C13H21NO2S — CID 111485327

IUPACN-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-10(2)4-6-13(3,16)9-14-12(15)11-5-7-17-8-11/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,14,15)
InChIKeyLOTBDLORRQHNKC-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.67
Rot. Bonds6

About N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide

N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide (PubChem CID 111485327) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
PubChem CID111485327
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-10(2)4-6-13(3,16)9-14-12(15)11-5-7-17-8-11/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,14,15)
InChIKeyLOTBDLORRQHNKC-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
3-bromo-N-(2-hydroxy-2,5-dimethylhexyl)thiophene-2-carboxamide
CID 111485433
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485450
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111485349

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide (CID 111485327) is N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide is CC(C)CCC(C)(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide?
The InChIKey is LOTBDLORRQHNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(2)4-6-13(3,16)9-14-12(15)11-5-7-17-8-11/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide?
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide has a molecular weight of 255.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide is sourced from PubChem (CID 111485327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).