2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C23H23FN2O4S — CID 134127150

IUPAC2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(CN(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-30-21-13-9-19(10-14-21)16-26(31(28,29)22-5-3-2-4-6-22)17-23(27)25-15-18-7-11-20(24)12-8-18/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyQMJYVVMTJGCOCT-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.34
Rot. Bonds9

About 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 134127150) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID134127150
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(CN(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-30-21-13-9-19(10-14-21)16-26(31(28,29)22-5-3-2-4-6-22)17-23(27)25-15-18-7-11-20(24)12-8-18/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyQMJYVVMTJGCOCT-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793153
2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4822610
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401062
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126064644
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
CID 2174588
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 134127150) is 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is COc1ccc(CN(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is QMJYVVMTJGCOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-30-21-13-9-19(10-14-21)16-26(31(28,29)22-5-3-2-4-6-22)17-23(27)25-15-18-7-11-20(24)12-8-18/h2-14H,15-17H2,1H3,(H,25,27).
What are the key properties of 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 442.51 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 134127150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).