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

C29H27FN2O5S — CID 43896165

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H27FN2O5S/c1-38(34,35)32(25-13-17-28(18-14-25)37-27-5-3-2-4-6-27)20-29(33)31-19-22-9-15-26(16-10-22)36-21-23-7-11-24(30)12-8-23/h2-18H,19-21H2,1H3,(H,31,33)
InChIKeyZSUJLTLTNTXSDX-UHFFFAOYSA-N
MW534.61 g/mol
LogP5.28
Rot. Bonds11

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

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 43896165) has the molecular formula C29H27FN2O5S and a molecular weight of 534.61 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID43896165
Molecular FormulaC29H27FN2O5S
Molecular Weight534.61 g/mol
Exact Mass534.16
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H27FN2O5S/c1-38(34,35)32(25-13-17-28(18-14-25)37-27-5-3-2-4-6-27)20-29(33)31-19-22-9-15-26(16-10-22)36-21-23-7-11-24(30)12-8-23/h2-18H,19-21H2,1H3,(H,31,33)
InChIKeyZSUJLTLTNTXSDX-UHFFFAOYSA-N
XLogP5.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217272
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
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-(N-methylsulfonyl-4-phenoxyanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767610
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43894339
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43897642
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 30222085
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43892221
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 43896165) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is ZSUJLTLTNTXSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O5S/c1-38(34,35)32(25-13-17-28(18-14-25)37-27-5-3-2-4-6-27)20-29(33)31-19-22-9-15-26(16-10-22)36-21-23-7-11-24(30)12-8-23/h2-18H,19-21H2,1H3,(H,31,33).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 534.61 g/mol, XLogP of 5.28, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 43896165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).