N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide

C28H27F3N4O4S — CID 170396328

IUPACN-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCN(CCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C28H27F3N4O4S/c1-3-35(23-10-4-5-11-24(23)39-28(29,30)31)19-18-34(2)27(36)21-13-15-22(16-14-21)33-40(37,38)25-12-6-8-20-9-7-17-32-26(20)25/h4-17,33H,3,18-19H2,1-2H3
InChIKeyZBIUDMAJITWVLO-UHFFFAOYSA-N
MW572.61 g/mol
LogP5.53
Rot. Bonds10

About N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide

N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 170396328) has the molecular formula C28H27F3N4O4S and a molecular weight of 572.61 g/mol. Its IUPAC name is N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID170396328
Molecular FormulaC28H27F3N4O4S
Molecular Weight572.61 g/mol
Exact Mass572.17
IUPAC NameN-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCN(CCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C28H27F3N4O4S/c1-3-35(23-10-4-5-11-24(23)39-28(29,30)31)19-18-34(2)27(36)21-13-15-22(16-14-21)33-40(37,38)25-12-6-8-20-9-7-17-32-26(20)25/h4-17,33H,3,18-19H2,1-2H3
InChIKeyZBIUDMAJITWVLO-UHFFFAOYSA-N
XLogP5.53
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.61
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
CID 146582525
N-ethyl-N-[3-hydroxy-3-[3-(trifluoromethoxy)phenyl]butyl]-4-(quinolin-8-ylsulfonylamino)benzamide
CID 123652352
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635215
2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 22204194
N-[4-[4-[[2-(dimethylamino)ethyl-ethylamino]methyl]phenyl]phenyl]quinoline-8-sulfonamide;2,2,2-trifluoroacetic acid
CID 44530292
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide
CID 134404583
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide (CID 170396328) is N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide is CCN(CCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is ZBIUDMAJITWVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O4S/c1-3-35(23-10-4-5-11-24(23)39-28(29,30)31)19-18-34(2)27(36)21-13-15-22(16-14-21)33-40(37,38)25-12-6-8-20-9-7-17-32-26(20)25/h4-17,33H,3,18-19H2,1-2H3.
What are the key properties of N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 572.61 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 170396328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).