N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide

C23H23FN2O4S — CID 30217272

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H23FN2O4S/c1-31(28,29)26(21-5-3-2-4-6-21)16-23(27)25-15-18-9-13-22(14-10-18)30-17-19-7-11-20(24)12-8-19/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeySGGPEJZWEUTQBN-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.49
Rot. Bonds9

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide (PubChem CID 30217272) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
PubChem CID30217272
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H23FN2O4S/c1-31(28,29)26(21-5-3-2-4-6-21)16-23(27)25-15-18-9-13-22(14-10-18)30-17-19-7-11-20(24)12-8-19/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeySGGPEJZWEUTQBN-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896165
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901047
N-[(2-methylphenyl)methyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 2231727
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43892221
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 92671895
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 3955567
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 30222085
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43897642
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43894339
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43901042

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide (CID 30217272) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is SGGPEJZWEUTQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-31(28,29)26(21-5-3-2-4-6-21)16-23(27)25-15-18-9-13-22(14-10-18)30-17-19-7-11-20(24)12-8-19/h2-14H,15-17H2,1H3,(H,25,27).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 442.51 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30217272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).