N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide

C13H21NO2S — CID 111452236

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-12(2,3)7-11(15)14-9-13(4,16)10-5-6-17-8-10/h5-6,8,16H,7,9H2,1-4H3,(H,14,15)
InChIKeyFZNAAIZSTJUMNW-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.51
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide (PubChem CID 111452236) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
PubChem CID111452236
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-12(2,3)7-11(15)14-9-13(4,16)10-5-6-17-8-10/h5-6,8,16H,7,9H2,1-4H3,(H,14,15)
InChIKeyFZNAAIZSTJUMNW-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
CID 111451822
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)but-3-enamide
CID 111720045
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
CID 111451848
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
CID 111451949
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide (CID 111452236) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide?
The InChIKey is FZNAAIZSTJUMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-12(2,3)7-11(15)14-9-13(4,16)10-5-6-17-8-10/h5-6,8,16H,7,9H2,1-4H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide has a molecular weight of 255.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 111452236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).