N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide

C22H21FN2O4S — CID 28553452

IUPACN-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H21FN2O4S/c1-16-3-2-4-19(13-16)25-30(27,28)21-11-9-20(10-12-21)29-15-22(26)24-14-17-5-7-18(23)8-6-17/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyDVTDRGOIPQPOLS-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.63
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 28553452) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID28553452
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H21FN2O4S/c1-16-3-2-4-19(13-16)25-30(27,28)21-11-9-20(10-12-21)29-15-22(26)24-14-17-5-7-18(23)8-6-17/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyDVTDRGOIPQPOLS-UHFFFAOYSA-N
XLogP3.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4291684
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3265403
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4031208
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875030
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-[(4-methylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
N-(2-ethyl-6-methylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3900705

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 28553452) is N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide is Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is DVTDRGOIPQPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-16-3-2-4-19(13-16)25-30(27,28)21-11-9-20(10-12-21)29-15-22(26)24-14-17-5-7-18(23)8-6-17/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 428.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 28553452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).