N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide

C18H23NO3S — CID 111519603

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C18H23NO3S/c1-14(10-11-22-15-7-4-3-5-8-15)17(20)19-13-18(2,21)16-9-6-12-23-16/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyXBZNOYMDYSWKER-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.18
Rot. Bonds8

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide (PubChem CID 111519603) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide
PubChem CID111519603
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C18H23NO3S/c1-14(10-11-22-15-7-4-3-5-8-15)17(20)19-13-18(2,21)16-9-6-12-23-16/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyXBZNOYMDYSWKER-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide
CID 111499105
2,2-dimethyl-3-[(2-methyl-4-phenoxybutanoyl)amino]propanoic acid
CID 119250425
4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
CID 111478211
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111443990
1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440971
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide (CID 111519603) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide is CC(CCOc1ccccc1)C(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide?
The InChIKey is XBZNOYMDYSWKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14(10-11-22-15-7-4-3-5-8-15)17(20)19-13-18(2,21)16-9-6-12-23-16/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide has a molecular weight of 333.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide is sourced from PubChem (CID 111519603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).