N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide

C18H15FN2O3S2 — CID 11682564

IUPACN-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2ccccc2)c(CC(=O)NS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C18H15FN2O3S2/c1-12-20-18(13-5-3-2-4-6-13)16(25-12)11-17(22)21-26(23,24)15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyNXUQJEDNNJDYCW-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.31
Rot. Bonds5

About N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide

N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide (PubChem CID 11682564) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
PubChem CID11682564
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC NameN-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2ccccc2)c(CC(=O)NS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C18H15FN2O3S2/c1-12-20-18(13-5-3-2-4-6-13)16(25-12)11-17(22)21-26(23,24)15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyNXUQJEDNNJDYCW-UHFFFAOYSA-N
XLogP3.31
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 11554000
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8714276
N-(2-ethyl-6-methylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8761777
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 16564298
N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 156782864
2-[4-(4-fluorophenyl)-2-(N-(4-methylsulfonylphenyl)anilino)-1,3-thiazol-5-yl]acetic acid
CID 16660134
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 51079330
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 39911524
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35256982

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide (CID 11682564) is N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2ccccc2)c(CC(=O)NS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is NXUQJEDNNJDYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c1-12-20-18(13-5-3-2-4-6-13)16(25-12)11-17(22)21-26(23,24)15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide?
N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 390.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 11682564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).