2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide

C24H22F4N2O3S — CID 30204334

IUPAC2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESO=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1
InChIInChI=1S/C24H22F4N2O3S/c25-20-13-11-18(12-14-20)6-5-15-29-23(31)17-30(34(32,33)22-9-2-1-3-10-22)21-8-4-7-19(16-21)24(26,27)28/h1-4,7-14,16H,5-6,15,17H2,(H,29,31)
InChIKeyNRMPDYKPUPTZKX-UHFFFAOYSA-N
MW494.51 g/mol
LogP4.79
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide (PubChem CID 30204334) has the molecular formula C24H22F4N2O3S and a molecular weight of 494.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide
PubChem CID30204334
Molecular FormulaC24H22F4N2O3S
Molecular Weight494.51 g/mol
Exact Mass494.13
IUPAC Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESO=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1
InChIInChI=1S/C24H22F4N2O3S/c25-20-13-11-18(12-14-20)6-5-15-29-23(31)17-30(34(32,33)22-9-2-1-3-10-22)21-8-4-7-19(16-21)24(26,27)28/h1-4,7-14,16H,5-6,15,17H2,(H,29,31)
InChIKeyNRMPDYKPUPTZKX-UHFFFAOYSA-N
XLogP4.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenyl)propyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30221272
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 2889686
N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide
CID 44530184
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-benzylsulfanylethyl)acetamide
CID 3285533
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304561
N-[3-(4-chlorophenyl)propyl]-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43901074
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 43892636
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30205747
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 43901277
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244115
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30209855
N-hexyl-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 127046267

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide (CID 30204334) is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide is O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide?
The InChIKey is NRMPDYKPUPTZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O3S/c25-20-13-11-18(12-14-20)6-5-15-29-23(31)17-30(34(32,33)22-9-2-1-3-10-22)21-8-4-7-19(16-21)24(26,27)28/h1-4,7-14,16H,5-6,15,17H2,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide has a molecular weight of 494.51 g/mol, XLogP of 4.79, 9 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-[3-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 30204334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).