N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C19H20ClF3N2O3S — CID 1021379

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C19H20ClF3N2O3S/c1-11-7-12(2)18(13(3)8-11)29(27,28)25(4)10-17(26)24-14-5-6-16(20)15(9-14)19(21,22)23/h5-9H,10H2,1-4H3,(H,24,26)
InChIKeyCIZFACPJTUXKNB-UHFFFAOYSA-N
MW448.89 g/mol
LogP4.54
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 1021379) has the molecular formula C19H20ClF3N2O3S and a molecular weight of 448.89 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID1021379
Molecular FormulaC19H20ClF3N2O3S
Molecular Weight448.89 g/mol
Exact Mass448.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C19H20ClF3N2O3S/c1-11-7-12(2)18(13(3)8-11)29(27,28)25(4)10-17(26)24-14-5-6-16(20)15(9-14)19(21,22)23/h5-9H,10H2,1-4H3,(H,24,26)
InChIKeyCIZFACPJTUXKNB-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
2-[(3-acetylphenyl)sulfonyl-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 17396453
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 19798403
2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26528259
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 51342561
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 2898694
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-oxochromen-6-yl)sulfonylamino]acetamide
CID 24678197
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51344097
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide
CID 42936462

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 1021379) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is CIZFACPJTUXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O3S/c1-11-7-12(2)18(13(3)8-11)29(27,28)25(4)10-17(26)24-14-5-6-16(20)15(9-14)19(21,22)23/h5-9H,10H2,1-4H3,(H,24,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 448.89 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1021379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).