2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide

C18H22N2O3S — CID 126835479

IUPAC2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1cccc(N=S(C)(C)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-4-14-8-5-6-11-17(14)19-18(21)13-23-16-10-7-9-15(12-16)20-24(2,3)22/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyKDLVPLVPCGMKBJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.63
Rot. Bonds6

About 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide

2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide (PubChem CID 126835479) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide
PubChem CID126835479
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1cccc(N=S(C)(C)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-4-14-8-5-6-11-17(14)19-18(21)13-23-16-10-7-9-15(12-16)20-24(2,3)22/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyKDLVPLVPCGMKBJ-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-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide
CID 126837075
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
CID 30011225
N-(2-ethylphenyl)-2-pyridin-3-yloxyacetamide
CID 38114602
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
2-(2-acetamidophenoxy)-N-(2-ethylphenyl)acetamide
CID 7867330
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119439280
N-(2-hydroxyphenyl)-2-(3-propoxyphenoxy)acetamide
CID 4733100
N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 114298101
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
methyl 1-[[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]methyl]cyclopropane-1-carboxylate
CID 126837230
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126273567

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide (CID 126835479) is 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)COc1cccc(N=S(C)(C)=O)c1.
What is the InChIKey of 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide?
The InChIKey is KDLVPLVPCGMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14-8-5-6-11-17(14)19-18(21)13-23-16-10-7-9-15(12-16)20-24(2,3)22/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide?
2-[3-[[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-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenoxy]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 126835479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).