N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C19H18FN3O3S2 — CID 176658336

IUPACN-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(CNS(=O)(=O)c3ccccc3)c(F)c2)s1
InChIInChI=1S/C19H18FN3O3S2/c1-12-18(27-19(22-12)23-13(2)24)14-8-9-15(17(20)10-14)11-21-28(25,26)16-6-4-3-5-7-16/h3-10,21H,11H2,1-2H3,(H,22,23,24)
InChIKeyCSHPUUROVNUBKZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.69
Rot. Bonds6

About N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 176658336) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID176658336
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC NameN-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(CNS(=O)(=O)c3ccccc3)c(F)c2)s1
InChIInChI=1S/C19H18FN3O3S2/c1-12-18(27-19(22-12)23-13(2)24)14-8-9-15(17(20)10-14)11-21-28(25,26)16-6-4-3-5-7-16/h3-10,21H,11H2,1-2H3,(H,22,23,24)
InChIKeyCSHPUUROVNUBKZ-UHFFFAOYSA-N
XLogP3.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
CID 23646351
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 10344711
2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 21051266
N-{4-[2-(4-{[amino(imino)methyl]amino}phenyl)ethyl]-5-[3-(methylsulfonyl)benzyl]-1,3-thiazol-2-yl}acetamide
CID 21914821
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[2-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 21914896
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 21915002
N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 57351276
n-[5-(4-Methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide
CID 70682591
N-[5-(4-Methanesulfonyl-3-trifluoromethyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide
CID 70684690
N-[4-methyl-5-(4-sulfamoyl-phenyl)-thiazol-2-yl]-acetamide
CID 70688908
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 71602685
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[[4-(dimethylsulfamoyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 71602686

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 176658336) is N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(CNS(=O)(=O)c3ccccc3)c(F)c2)s1.
What is the InChIKey of N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is CSHPUUROVNUBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-12-18(27-19(22-12)23-13(2)24)14-8-9-15(17(20)10-14)11-21-28(25,26)16-6-4-3-5-7-16/h3-10,21H,11H2,1-2H3,(H,22,23,24).
What are the key properties of N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(benzenesulfonamidomethyl)-3-fluorophenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 176658336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).