N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H20ClF3N2O3S — CID 43890288

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C19H20ClF3N2O3S/c1-10-7-11(2)17(12(3)8-10)29(27,28)25-13(4)18(26)24-16-6-5-14(20)9-15(16)19(21,22)23/h5-9,13,25H,1-4H3,(H,24,26)
InChIKeyJIVINCVCNWQVCM-UHFFFAOYSA-N
MW448.89 g/mol
LogP4.59
Rot. Bonds5

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 43890288) has the molecular formula C19H20ClF3N2O3S and a molecular weight of 448.89 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID43890288
Molecular FormulaC19H20ClF3N2O3S
Molecular Weight448.89 g/mol
Exact Mass448.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C19H20ClF3N2O3S/c1-10-7-11(2)17(12(3)8-10)29(27,28)25-13(4)18(26)24-16-6-5-14(20)9-15(16)19(21,22)23/h5-9,13,25H,1-4H3,(H,24,26)
InChIKeyJIVINCVCNWQVCM-UHFFFAOYSA-N
XLogP4.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890221
N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890225
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2204915
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890197
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenoxy)propanamide
CID 1019961
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 50740249
N-(2-ethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890217
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 7318745

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 43890288) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NC(C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is JIVINCVCNWQVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O3S/c1-10-7-11(2)17(12(3)8-10)29(27,28)25-13(4)18(26)24-16-6-5-14(20)9-15(16)19(21,22)23/h5-9,13,25H,1-4H3,(H,24,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 448.89 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).