2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide

C22H21FN2O4S — CID 26890892

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-16-7-11-18(12-8-16)29-21-6-4-3-5-20(21)24-22(26)15-25(2)30(27,28)19-13-9-17(23)10-14-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyFTGCWKHGERWHKV-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.19
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide (PubChem CID 26890892) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide
PubChem CID26890892
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-16-7-11-18(12-8-16)29-21-6-4-3-5-20(21)24-22(26)15-25(2)30(27,28)19-13-9-17(23)10-14-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyFTGCWKHGERWHKV-UHFFFAOYSA-N
XLogP4.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 24583785
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 24681406
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1233822
N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095185
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365896
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 16623274

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide (CID 26890892) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide is Cc1ccc(Oc2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is FTGCWKHGERWHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-16-7-11-18(12-8-16)29-21-6-4-3-5-20(21)24-22(26)15-25(2)30(27,28)19-13-9-17(23)10-14-19/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 26890892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).