N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide

C23H22FNO3S — CID 70686810

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C23H22FNO3S/c1-27-18-12-13-21(28-2)17(14-18)16-25(23(26)15-24)20-10-6-7-11-22(20)29-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3
InChIKeyPFTXURYSUVCGJO-UHFFFAOYSA-N
MW411.50 g/mol
LogP5.36
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 70686810) has the molecular formula C23H22FNO3S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID70686810
Molecular FormulaC23H22FNO3S
Molecular Weight411.50 g/mol
Exact Mass411.13
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C23H22FNO3S/c1-27-18-12-13-21(28-2)17(14-18)16-25(23(26)15-24)20-10-6-7-11-22(20)29-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3
InChIKeyPFTXURYSUVCGJO-UHFFFAOYSA-N
XLogP5.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide (CID 70686810) is N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide is COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Sc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is PFTXURYSUVCGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3S/c1-27-18-12-13-21(28-2)17(14-18)16-25(23(26)15-24)20-10-6-7-11-22(20)29-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 411.50 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 70686810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).