N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide

C17H21NO3S — CID 71782438

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(O)c2cccs2)cc1
InChIInChI=1S/C17H21NO3S/c1-12(2)13-5-7-14(8-6-13)21-11-17(20)18-10-15(19)16-4-3-9-22-16/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyOUYGETNHKYEVBE-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.10
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 71782438) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID71782438
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(O)c2cccs2)cc1
InChIInChI=1S/C17H21NO3S/c1-12(2)13-5-7-14(8-6-13)21-11-17(20)18-10-15(19)16-4-3-9-22-16/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyOUYGETNHKYEVBE-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34949327
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 110889182
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 90524092
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121180159
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 95338334
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 26009692
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 71782438) is N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCC(O)c2cccs2)cc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is OUYGETNHKYEVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12(2)13-5-7-14(8-6-13)21-11-17(20)18-10-15(19)16-4-3-9-22-16/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 319.43 g/mol, XLogP of 3.10, 7 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-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 71782438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).