N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide

C17H14F3N3O3S — CID 113155496

IUPACN-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3O3S/c1-27(25,26)23(15-5-3-2-4-14(15)17(18,19)20)11-16(24)22-13-8-6-12(10-21)7-9-13/h2-9H,11H2,1H3,(H,22,24)
InChIKeyDRRQQNVKJYARDN-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.98
Rot. Bonds5

About N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide

N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide (PubChem CID 113155496) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
PubChem CID113155496
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC NameN-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3O3S/c1-27(25,26)23(15-5-3-2-4-14(15)17(18,19)20)11-16(24)22-13-8-6-12(10-21)7-9-13/h2-9H,11H2,1H3,(H,22,24)
InChIKeyDRRQQNVKJYARDN-UHFFFAOYSA-N
XLogP2.98
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 113154098
N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 113156893
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 113175093
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1338012
N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144847
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide (CID 113155496) is N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide?
The InChIKey is DRRQQNVKJYARDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-27(25,26)23(15-5-3-2-4-14(15)17(18,19)20)11-16(24)22-13-8-6-12(10-21)7-9-13/h2-9H,11H2,1H3,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide?
N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide has a molecular weight of 397.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 113155496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).