N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide

C12H19NO2S — CID 66179515

IUPACN-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-9(2)6-12(3,15)8-13-11(14)10-4-5-16-7-10/h4-5,7,9,15H,6,8H2,1-3H3,(H,13,14)
InChIKeyRNBCFTSLYZQCJE-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide

N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide (PubChem CID 66179515) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
PubChem CID66179515
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-9(2)6-12(3,15)8-13-11(14)10-4-5-16-7-10/h4-5,7,9,15H,6,8H2,1-3H3,(H,13,14)
InChIKeyRNBCFTSLYZQCJE-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
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
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1H-pyridine-4-carboxamide
CID 66179128
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
CID 103843618
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide (CID 66179515) is N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide is CC(C)CC(C)(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide?
The InChIKey is RNBCFTSLYZQCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(2)6-12(3,15)8-13-11(14)10-4-5-16-7-10/h4-5,7,9,15H,6,8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide?
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide is sourced from PubChem (CID 66179515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).