2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide

C28H25FN2O4S — CID 126068032

IUPAC2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C28H25FN2O4S/c1-21-7-17-27(18-8-21)36(33,34)31(19-22-9-11-23(29)12-10-22)20-28(32)30-24-13-15-26(16-14-24)35-25-5-3-2-4-6-25/h2-18H,19-20H2,1H3,(H,30,32)
InChIKeyYYRLWRFMUDAHNS-UHFFFAOYSA-N
MW504.58 g/mol
LogP5.76
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide

2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 126068032) has the molecular formula C28H25FN2O4S and a molecular weight of 504.58 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
PubChem CID126068032
Molecular FormulaC28H25FN2O4S
Molecular Weight504.58 g/mol
Exact Mass504.15
IUPAC Name2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C28H25FN2O4S/c1-21-7-17-27(18-8-21)36(33,34)31(19-22-9-11-23(29)12-10-22)20-28(32)30-24-13-15-26(16-14-24)35-25-5-3-2-4-6-25/h2-18H,19-20H2,1H3,(H,30,32)
InChIKeyYYRLWRFMUDAHNS-UHFFFAOYSA-N
XLogP5.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.58
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126063548
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 987006
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 29357217
2-[4-[[2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793272
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126118824
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 1209132
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide (CID 126068032) is 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is YYRLWRFMUDAHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O4S/c1-21-7-17-27(18-8-21)36(33,34)31(19-22-9-11-23(29)12-10-22)20-28(32)30-24-13-15-26(16-14-24)35-25-5-3-2-4-6-25/h2-18H,19-20H2,1H3,(H,30,32).
What are the key properties of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide?
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 504.58 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 126068032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).