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

C24H20FN3O4S2 — CID 2348603

IUPAC2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O4S2/c1-28(34(30,31)21-13-7-18(25)8-14-21)19-9-11-20(12-10-19)32-15-23(29)27-24-26-22(16-33-24)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,26,27,29)
InChIKeyVUNYEOVRACSMOO-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.79
Rot. Bonds8

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

2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2348603) has the molecular formula C24H20FN3O4S2 and a molecular weight of 497.57 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2348603
Molecular FormulaC24H20FN3O4S2
Molecular Weight497.57 g/mol
Exact Mass497.09
IUPAC Name2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O4S2/c1-28(34(30,31)21-13-7-18(25)8-14-21)19-9-11-20(12-10-19)32-15-23(29)27-24-26-22(16-33-24)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,26,27,29)
InChIKeyVUNYEOVRACSMOO-UHFFFAOYSA-N
XLogP4.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 873121
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}acetamide
CID 1236902
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 2254772
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide
CID 2948660
2-(benzylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1094088
N-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1176056
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonyl]acetamide
CID 1248559
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 2336509
Ethyl 2-[2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2336554
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 2408166
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2460030

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2348603) is 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CN(c1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VUNYEOVRACSMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S2/c1-28(34(30,31)21-13-7-18(25)8-14-21)19-9-11-20(12-10-19)32-15-23(29)27-24-26-22(16-33-24)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,26,27,29).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 497.57 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2348603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).