N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide

C14H21NO2S — CID 134007912

IUPACN-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C14H21NO2S/c1-10(2)11(3)15-14(16)9-17-12-5-7-13(18-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyXELMVBSKVWAGJO-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.95
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide

N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide (PubChem CID 134007912) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
PubChem CID134007912
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C14H21NO2S/c1-10(2)11(3)15-14(16)9-17-12-5-7-13(18-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyXELMVBSKVWAGJO-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 40785701
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60623787
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367621
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42900557
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 63648820
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620
N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 47059923

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide (CID 134007912) is N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide is CSc1ccc(OCC(=O)NC(C)C(C)C)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide?
The InChIKey is XELMVBSKVWAGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(2)11(3)15-14(16)9-17-12-5-7-13(18-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,15,16).
What are the key properties of N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide?
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 134007912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).