N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

C22H26F3N3O3S — CID 6059713

IUPACN-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESC/C(CC(C)(C)c1ccccc1)=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C22H26F3N3O3S/c1-16(14-21(2,3)17-9-6-5-7-10-17)26-27-20(29)15-28(32(4,30)31)19-12-8-11-18(13-19)22(23,24)25/h5-13H,14-15H2,1-4H3,(H,27,29)/b26-16-
InChIKeyIVMATNDKJGOSIA-QQXSKIMKSA-N
MW469.53 g/mol
LogP4.33
Rot. Bonds8

About N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 6059713) has the molecular formula C22H26F3N3O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID6059713
Molecular FormulaC22H26F3N3O3S
Molecular Weight469.53 g/mol
Exact Mass469.16
IUPAC NameN-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESC/C(CC(C)(C)c1ccccc1)=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C22H26F3N3O3S/c1-16(14-21(2,3)17-9-6-5-7-10-17)26-27-20(29)15-28(32(4,30)31)19-12-8-11-18(13-19)22(23,24)25/h5-13H,14-15H2,1-4H3,(H,27,29)/b26-16-
InChIKeyIVMATNDKJGOSIA-QQXSKIMKSA-N
XLogP4.33
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126031826
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126122743
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2273018
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid
CID 1265964
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-1-ylacetamide
CID 30168878
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
CID 3693486
N-(2,3-dimethylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1317874
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126191532
2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589050
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 137118985

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 6059713) is N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is C/C(CC(C)(C)c1ccccc1)=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is IVMATNDKJGOSIA-QQXSKIMKSA-N. The full InChI is InChI=1S/C22H26F3N3O3S/c1-16(14-21(2,3)17-9-6-5-7-10-17)26-27-20(29)15-28(32(4,30)31)19-12-8-11-18(13-19)22(23,24)25/h5-13H,14-15H2,1-4H3,(H,27,29)/b26-16-.
What are the key properties of N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 469.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 6059713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).