1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide

C22H17F3N2O4S2 — CID 10051418

IUPAC1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide
SMILESCOc1ccc(-c2nc(COc3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)cs2)cc1
InChIInChI=1S/C22H17F3N2O4S2/c1-30-18-8-5-14(6-9-18)21-26-17(13-32-21)12-31-20-4-2-3-15-11-16(7-10-19(15)20)27-33(28,29)22(23,24)25/h2-11,13,27H,12H2,1H3
InChIKeySPMITANQHLITPS-UHFFFAOYSA-N
MW494.52 g/mol
LogP5.81
Rot. Bonds7

About 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide (PubChem CID 10051418) has the molecular formula C22H17F3N2O4S2 and a molecular weight of 494.52 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide
PubChem CID10051418
Molecular FormulaC22H17F3N2O4S2
Molecular Weight494.52 g/mol
Exact Mass494.06
IUPAC Name1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide
SMILESCOc1ccc(-c2nc(COc3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)cs2)cc1
InChIInChI=1S/C22H17F3N2O4S2/c1-30-18-8-5-14(6-9-18)21-26-17(13-32-21)12-31-20-4-2-3-15-11-16(7-10-19(15)20)27-33(28,29)22(23,24)25/h2-11,13,27H,12H2,1H3
InChIKeySPMITANQHLITPS-UHFFFAOYSA-N
XLogP5.81
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 10006164
N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 14479967
1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide
CID 22337866
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,2-difluoro-2-naphthalen-1-ylacetate
CID 166357169
N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10497495
2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648428
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
2-(4-methylsulfonylphenyl)-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 166189607
4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide (CID 10051418) is 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide is COc1ccc(-c2nc(COc3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)cs2)cc1.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide?
The InChIKey is SPMITANQHLITPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4S2/c1-30-18-8-5-14(6-9-18)21-26-17(13-32-21)12-31-20-4-2-3-15-11-16(7-10-19(15)20)27-33(28,29)22(23,24)25/h2-11,13,27H,12H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide has a molecular weight of 494.52 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 10051418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).