2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide

C23H22ClFN2O4S — CID 55945767

IUPAC2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C23H22ClFN2O4S/c1-16-10-19(24)8-9-22(16)31-15-23(28)26-13-18-5-3-7-21(12-18)32(29,30)27-14-17-4-2-6-20(25)11-17/h2-12,27H,13-15H2,1H3,(H,26,28)
InChIKeyKTGFGMDEKMLLGO-UHFFFAOYSA-N
MW476.96 g/mol
LogP3.96
Rot. Bonds9

About 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide (PubChem CID 55945767) has the molecular formula C23H22ClFN2O4S and a molecular weight of 476.96 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
PubChem CID55945767
Molecular FormulaC23H22ClFN2O4S
Molecular Weight476.96 g/mol
Exact Mass476.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C23H22ClFN2O4S/c1-16-10-19(24)8-9-22(16)31-15-23(28)26-13-18-5-3-7-21(12-18)32(29,30)27-14-17-4-2-6-20(25)11-17/h2-12,27H,13-15H2,1H3,(H,26,28)
InChIKeyKTGFGMDEKMLLGO-UHFFFAOYSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
CID 46447882
2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55712262
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33014645
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
CID 60552907
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide (CID 55945767) is 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The InChIKey is KTGFGMDEKMLLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4S/c1-16-10-19(24)8-9-22(16)31-15-23(28)26-13-18-5-3-7-21(12-18)32(29,30)27-14-17-4-2-6-20(25)11-17/h2-12,27H,13-15H2,1H3,(H,26,28).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide has a molecular weight of 476.96 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 55945767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).