N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide

C26H24F6N2O3S — CID 44530184

IUPACN-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide
SMILESCc1cccc(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C26H24F6N2O3S/c1-18-5-2-6-19(15-18)7-4-14-33-24(35)17-34(22-9-3-8-21(16-22)26(30,31)32)38(36,37)23-12-10-20(11-13-23)25(27,28)29/h2-3,5-6,8-13,15-16H,4,7,14,17H2,1H3,(H,33,35)
InChIKeyPUXRVCQETDUQOP-UHFFFAOYSA-N
MW558.54 g/mol
LogP5.98
Rot. Bonds9

About N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide

N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide (PubChem CID 44530184) has the molecular formula C26H24F6N2O3S and a molecular weight of 558.54 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide
PubChem CID44530184
Molecular FormulaC26H24F6N2O3S
Molecular Weight558.54 g/mol
Exact Mass558.14
IUPAC NameN-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide
SMILESCc1cccc(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C26H24F6N2O3S/c1-18-5-2-6-19(15-18)7-4-14-33-24(35)17-34(22-9-3-8-21(16-22)26(30,31)32)38(36,37)23-12-10-20(11-13-23)25(27,28)29/h2-3,5-6,8-13,15-16H,4,7,14,17H2,1H3,(H,33,35)
InChIKeyPUXRVCQETDUQOP-UHFFFAOYSA-N
XLogP5.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.54
LogP ≤ 55.98
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-hexyl-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 127046267
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30204334
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271609
N-(2-tert-butylsulfanylethyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 2286892
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 2889686
N-[3-(4-chlorophenyl)propyl]-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43901074
N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30215284
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)acetamide
CID 51344306
N-[3-(4-fluorophenyl)propyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30221272
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271613
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 43901277
N-[(2S)-3-methylbutan-2-yl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 100562884

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide?
The IUPAC name of N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide (CID 44530184) is N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide.
What is the SMILES notation for N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide?
The canonical SMILES for N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide is Cc1cccc(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide?
The InChIKey is PUXRVCQETDUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N2O3S/c1-18-5-2-6-19(15-18)7-4-14-33-24(35)17-34(22-9-3-8-21(16-22)26(30,31)32)38(36,37)23-12-10-20(11-13-23)25(27,28)29/h2-3,5-6,8-13,15-16H,4,7,14,17H2,1H3,(H,33,35).
What are the key properties of N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide?
N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide has a molecular weight of 558.54 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide is sourced from PubChem (CID 44530184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).