N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C20H20FN3O3S2 — CID 31288135

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H20FN3O3S2/c1-3-14-4-6-15(7-5-14)18-13-28-20(22-18)23-19(25)12-24(2)29(26,27)17-10-8-16(21)9-11-17/h4-11,13H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyVFWFBDVSWJBILO-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.77
Rot. Bonds7

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 31288135) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID31288135
Molecular FormulaC20H20FN3O3S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H20FN3O3S2/c1-3-14-4-6-15(7-5-14)18-13-28-20(22-18)23-19(25)12-24(2)29(26,27)17-10-8-16(21)9-11-17/h4-11,13H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyVFWFBDVSWJBILO-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2481850
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26066021
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2093950
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5129133
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 38904419
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544713
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 55661935
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3260763
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 24594736
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 60551837

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 31288135) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CCc1ccc(-c2csc(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is VFWFBDVSWJBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c1-3-14-4-6-15(7-5-14)18-13-28-20(22-18)23-19(25)12-24(2)29(26,27)17-10-8-16(21)9-11-17/h4-11,13H,3,12H2,1-2H3,(H,22,23,25).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 433.53 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 31288135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).