2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide

C17H20ClNO2S — CID 46449078

IUPAC2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C17H20ClNO2S/c1-3-12(2)14-6-4-5-7-15(14)21-11-17(20)19-10-13-8-9-16(18)22-13/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)
InChIKeyLHSADHYKYORKOO-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.61
Rot. Bonds7

About 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide

2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide (PubChem CID 46449078) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
PubChem CID46449078
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C17H20ClNO2S/c1-3-12(2)14-6-4-5-7-15(14)21-11-17(20)19-10-13-8-9-16(18)22-13/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)
InChIKeyLHSADHYKYORKOO-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
5-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]furan-2-carboxylic acid
CID 125118561
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
CID 55491511
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43413875
2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 47000292
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide (CID 46449078) is 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide is CCC(C)c1ccccc1OCC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The InChIKey is LHSADHYKYORKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-3-12(2)14-6-4-5-7-15(14)21-11-17(20)19-10-13-8-9-16(18)22-13/h4-9,12H,3,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide has a molecular weight of 337.87 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 46449078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).