2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C23H20F4N2O3S — CID 30304561

IUPAC2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H20F4N2O3S/c1-16(17-10-12-19(24)13-11-17)28-22(30)15-29(33(31,32)21-8-3-2-4-9-21)20-7-5-6-18(14-20)23(25,26)27/h2-14,16H,15H2,1H3,(H,28,30)/t16-/m1/s1
InChIKeyPSMNXUPZTOEVIF-MRXNPFEDSA-N
MW480.48 g/mol
LogP4.92
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 30304561) has the molecular formula C23H20F4N2O3S and a molecular weight of 480.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID30304561
Molecular FormulaC23H20F4N2O3S
Molecular Weight480.48 g/mol
Exact Mass480.11
IUPAC Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H20F4N2O3S/c1-16(17-10-12-19(24)13-11-17)28-22(30)15-29(33(31,32)21-8-3-2-4-9-21)20-7-5-6-18(14-20)23(25,26)27/h2-14,16H,15H2,1H3,(H,28,30)/t16-/m1/s1
InChIKeyPSMNXUPZTOEVIF-MRXNPFEDSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43900412
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2273018
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 99938163
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902134
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902194
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 92677059
N-[1-(4-fluorophenyl)ethyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286813
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94862279
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43901799
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]acetamide
CID 98053757
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
CID 126268693

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 30304561) is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is PSMNXUPZTOEVIF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20F4N2O3S/c1-16(17-10-12-19(24)13-11-17)28-22(30)15-29(33(31,32)21-8-3-2-4-9-21)20-7-5-6-18(14-20)23(25,26)27/h2-14,16H,15H2,1H3,(H,28,30)/t16-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 480.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 30304561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).