N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide

C19H18FN3O4S2 — CID 17012865

IUPACN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H18FN3O4S2/c1-23(2)29(25,26)16-9-3-13(4-10-16)17-12-28-19(21-17)22-18(24)11-27-15-7-5-14(20)6-8-15/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyFNAUYIAGWFSCOX-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.22
Rot. Bonds7

About N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 17012865) has the molecular formula C19H18FN3O4S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
PubChem CID17012865
Molecular FormulaC19H18FN3O4S2
Molecular Weight435.50 g/mol
Exact Mass435.07
IUPAC NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H18FN3O4S2/c1-23(2)29(25,26)16-9-3-13(4-10-16)17-12-28-19(21-17)22-18(24)11-27-15-7-5-14(20)6-8-15/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyFNAUYIAGWFSCOX-UHFFFAOYSA-N
XLogP3.22
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 55661935
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 31288135
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
4-[5-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid
CID 35271938
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide (CID 17012865) is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide is CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is FNAUYIAGWFSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S2/c1-23(2)29(25,26)16-9-3-13(4-10-16)17-12-28-19(21-17)22-18(24)11-27-15-7-5-14(20)6-8-15/h3-10,12H,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 17012865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).