N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C21H19FN2O2S — CID 55825043

IUPACN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccccn1)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C21H19FN2O2S/c22-17-9-7-16(8-10-17)13-26-20-6-3-5-18(12-20)24-21(25)15-27-14-19-4-1-2-11-23-19/h1-12H,13-15H2,(H,24,25)
InChIKeyHGVFDSCSWGPBJN-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.67
Rot. Bonds8

About N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 55825043) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID55825043
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccccn1)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C21H19FN2O2S/c22-17-9-7-16(8-10-17)13-26-20-6-3-5-18(12-20)24-21(25)15-27-14-19-4-1-2-11-23-19/h1-12H,13-15H2,(H,24,25)
InChIKeyHGVFDSCSWGPBJN-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 33499249
N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 119438197
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 33499201
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide
CID 38019493
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 34607272
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 55825043) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccccn1)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is HGVFDSCSWGPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c22-17-9-7-16(8-10-17)13-26-20-6-3-5-18(12-20)24-21(25)15-27-14-19-4-1-2-11-23-19/h1-12H,13-15H2,(H,24,25).
What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).