2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide

C25H24F4N2O5S — CID 43900412

IUPAC2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C25H24F4N2O5S/c1-16(17-7-9-19(26)10-8-17)30-24(32)15-31(20-6-4-5-18(13-20)25(27,28)29)37(33,34)21-11-12-22(35-2)23(14-21)36-3/h4-14,16H,15H2,1-3H3,(H,30,32)
InChIKeyLQCVPRGCLHTPFC-UHFFFAOYSA-N
MW540.54 g/mol
LogP4.93
Rot. Bonds9

About 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43900412) has the molecular formula C25H24F4N2O5S and a molecular weight of 540.54 g/mol. Its IUPAC name is 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID43900412
Molecular FormulaC25H24F4N2O5S
Molecular Weight540.54 g/mol
Exact Mass540.13
IUPAC Name2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C25H24F4N2O5S/c1-16(17-7-9-19(26)10-8-17)30-24(32)15-31(20-6-4-5-18(13-20)25(27,28)29)37(33,34)21-11-12-22(35-2)23(14-21)36-3/h4-14,16H,15H2,1-3H3,(H,30,32)
InChIKeyLQCVPRGCLHTPFC-UHFFFAOYSA-N
XLogP4.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304561
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94012475
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680076
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43886583
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43900572
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 30256407
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 99938163
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92671858
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43899593
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 30257511
N-(3-acetylphenyl)-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43899989
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43898172

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 43900412) is 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is LQCVPRGCLHTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N2O5S/c1-16(17-7-9-19(26)10-8-17)30-24(32)15-31(20-6-4-5-18(13-20)25(27,28)29)37(33,34)21-11-12-22(35-2)23(14-21)36-3/h4-14,16H,15H2,1-3H3,(H,30,32).
What are the key properties of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 540.54 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43900412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).