N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide

C17H15Cl2NO3S — CID 60513452

IUPACN-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)COc2cc(Cl)cc(Cl)c2)ccc1NC(C)=O
InChIInChI=1S/C17H15Cl2NO3S/c1-10(21)20-15-4-3-11(5-17(15)24-2)16(22)9-23-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeySTUFTIUMQAEXKJ-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.94
Rot. Bonds6

About N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide

N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 60513452) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
PubChem CID60513452
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC NameN-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)COc2cc(Cl)cc(Cl)c2)ccc1NC(C)=O
InChIInChI=1S/C17H15Cl2NO3S/c1-10(21)20-15-4-3-11(5-17(15)24-2)16(22)9-23-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeySTUFTIUMQAEXKJ-UHFFFAOYSA-N
XLogP4.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
CID 60515712
N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide
CID 52641955
N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7467139
N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide
CID 60514090
2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60623922
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 24526996
N-[2-methylsulfanyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045910
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 27348164
2-(3,5-dichlorophenoxy)-1-(4-nitrophenyl)ethanone
CID 60623975
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 26968947
N-(4-chloro-2-methylphenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 7467092
N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide
CID 47045898

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide (CID 60513452) is N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide is CSc1cc(C(=O)COc2cc(Cl)cc(Cl)c2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is STUFTIUMQAEXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c1-10(21)20-15-4-3-11(5-17(15)24-2)16(22)9-23-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide?
N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 384.28 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 60513452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).