2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C20H20FN3O3S2 — CID 100797241

IUPAC2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O3S2/c1-3-24(29(26,27)18-9-7-16(21)8-10-18)12-20(25)23-17-6-4-5-15(11-17)19-13-28-14(2)22-19/h4-11,13H,3,12H2,1-2H3,(H,23,25)
InChIKeyNQPHFFFYYIVYTA-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.91
Rot. Bonds7

About 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 100797241) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID100797241
Molecular FormulaC20H20FN3O3S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O3S2/c1-3-24(29(26,27)18-9-7-16(21)8-10-18)12-20(25)23-17-6-4-5-15(11-17)19-13-28-14(2)22-19/h4-11,13H,3,12H2,1-2H3,(H,23,25)
InChIKeyNQPHFFFYYIVYTA-UHFFFAOYSA-N
XLogP3.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799018
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 45372341
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100797401
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818244
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100798617
2-[butyl(ethyl)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 34603207
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27040368
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 100797241) is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is CCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is NQPHFFFYYIVYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c1-3-24(29(26,27)18-9-7-16(21)8-10-18)12-20(25)23-17-6-4-5-15(11-17)19-13-28-14(2)22-19/h4-11,13H,3,12H2,1-2H3,(H,23,25).
What are the key properties of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 100797241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).