N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide

C16H17F2N3O4S — CID 70828100

IUPACN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(CF)nc2)cc1F
InChIInChI=1S/C16H17F2N3O4S/c1-26(23,24)21-15-5-2-11(6-14(15)18)8-20-16(22)10-25-13-4-3-12(7-17)19-9-13/h2-6,9,21H,7-8,10H2,1H3,(H,20,22)
InChIKeyHZALIYXFCMSWLR-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.76
Rot. Bonds8

About N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide

N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide (PubChem CID 70828100) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide
PubChem CID70828100
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC NameN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(CF)nc2)cc1F
InChIInChI=1S/C16H17F2N3O4S/c1-26(23,24)21-15-5-2-11(6-14(15)18)8-20-16(22)10-25-13-4-3-12(7-17)19-9-13/h2-6,9,21H,7-8,10H2,1H3,(H,20,22)
InChIKeyHZALIYXFCMSWLR-UHFFFAOYSA-N
XLogP1.76
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 71156789
2-[(4,4-dimethyl-2,3-dihydrochromen-7-yl)oxy]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 21097453
2-[4-tert-butyl-2-(trifluoromethyl)phenoxy]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 69404959
2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 24785186
3-(4-tert-butylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]propanamide
CID 44574354
1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]urea
CID 11625640
2-(4-chlorophenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]ethanethioamide
CID 11855579
2-(4-tert-butylphenyl)sulfanyl-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 69383229
1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(2-phenylethyl)thiourea
CID 10156688
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-propan-2-ylphenyl)ethanethioamide
CID 11855580
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide (CID 70828100) is N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide is CS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(CF)nc2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide?
The InChIKey is HZALIYXFCMSWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c1-26(23,24)21-15-5-2-11(6-14(15)18)8-20-16(22)10-25-13-4-3-12(7-17)19-9-13/h2-6,9,21H,7-8,10H2,1H3,(H,20,22).
What are the key properties of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide?
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide has a molecular weight of 385.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 70828100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).