2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide

C22H18Cl2FNO3S — CID 100655365

IUPAC2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)CSCc2ccc(Cl)cc2F)c1
InChIInChI=1S/C22H18Cl2FNO3S/c1-28-17-3-2-4-18(11-17)29-21-8-7-16(24)10-20(21)26-22(27)13-30-12-14-5-6-15(23)9-19(14)25/h2-11H,12-13H2,1H3,(H,26,27)
InChIKeyBPCSPALGUKSCLL-UHFFFAOYSA-N
MW466.36 g/mol
LogP6.81
Rot. Bonds8

About 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide

2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide (PubChem CID 100655365) has the molecular formula C22H18Cl2FNO3S and a molecular weight of 466.36 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide
PubChem CID100655365
Molecular FormulaC22H18Cl2FNO3S
Molecular Weight466.36 g/mol
Exact Mass465.04
IUPAC Name2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)CSCc2ccc(Cl)cc2F)c1
InChIInChI=1S/C22H18Cl2FNO3S/c1-28-17-3-2-4-18(11-17)29-21-8-7-16(24)10-20(21)26-22(27)13-30-12-14-5-6-15(23)9-19(14)25/h2-11H,12-13H2,1H3,(H,26,27)
InChIKeyBPCSPALGUKSCLL-UHFFFAOYSA-N
XLogP6.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.36
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 26635675
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758535
2-(4-chloro-2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 56920149
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 100501688
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 100655140
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 100556342
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912675
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide (CID 100655365) is 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide is COc1cccc(Oc2ccc(Cl)cc2NC(=O)CSCc2ccc(Cl)cc2F)c1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide?
The InChIKey is BPCSPALGUKSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FNO3S/c1-28-17-3-2-4-18(11-17)29-21-8-7-16(24)10-20(21)26-22(27)13-30-12-14-5-6-15(23)9-19(14)25/h2-11H,12-13H2,1H3,(H,26,27).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide?
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide has a molecular weight of 466.36 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 100655365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).