2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide

C18H22N2O3S — CID 126837075

IUPAC2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1ccc(N=S(C)(C)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-14-7-5-6-8-17(14)19-18(21)13-23-16-11-9-15(10-12-16)20-24(2,3)22/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyQOWJJXPYYOOBEX-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.63
Rot. Bonds6

About 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide

2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide (PubChem CID 126837075) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide
PubChem CID126837075
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1ccc(N=S(C)(C)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-14-7-5-6-8-17(14)19-18(21)13-23-16-11-9-15(10-12-16)20-24(2,3)22/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyQOWJJXPYYOOBEX-UHFFFAOYSA-N
XLogP3.63
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide
CID 126835479
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
N-(2-ethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1319406
N-(2-ethylphenyl)-2-pyridin-3-yloxyacetamide
CID 38114602
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
2-(4-ethoxyphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439853
2-[[2-(4-benzoylphenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 9202240
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 28856245
2-(2-acetamidophenoxy)-N-(2-ethylphenyl)acetamide
CID 7867330
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[2-(bromomethyl)phenyl]-2-(4-hexadecoxyphenoxy)acetamide
CID 10007971

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide (CID 126837075) is 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)COc1ccc(N=S(C)(C)=O)cc1.
What is the InChIKey of 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide?
The InChIKey is QOWJJXPYYOOBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14-7-5-6-8-17(14)19-18(21)13-23-16-11-9-15(10-12-16)20-24(2,3)22/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide?
2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 126837075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).