N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide

C9H13NO2S — CID 65110228

IUPACN-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C9H13NO2S/c1-9(2,12)6-10-8(11)7-3-4-13-5-7/h3-5,12H,6H2,1-2H3,(H,10,11)
InChIKeyJGCGHAZCFHKEMH-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.25
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide

N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide (PubChem CID 65110228) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
PubChem CID65110228
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C9H13NO2S/c1-9(2,12)6-10-8(11)7-3-4-13-5-7/h3-5,12H,6H2,1-2H3,(H,10,11)
InChIKeyJGCGHAZCFHKEMH-UHFFFAOYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
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-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
CID 103843618
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide (CID 65110228) is N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide is CC(C)(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide?
The InChIKey is JGCGHAZCFHKEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(2,12)6-10-8(11)7-3-4-13-5-7/h3-5,12H,6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 65110228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).