2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C19H21F3N2O3S — CID 30329201

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H21F3N2O3S/c1-4-9-24(28(26,27)16-10-12(2)5-6-13(16)3)11-17(25)23-15-8-7-14(20)18(21)19(15)22/h5-8,10H,4,9,11H2,1-3H3,(H,23,25)
InChIKeyJHSXEAOINNWBLW-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.76
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 30329201) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID30329201
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H21F3N2O3S/c1-4-9-24(28(26,27)16-10-12(2)5-6-13(16)3)11-17(25)23-15-8-7-14(20)18(21)19(15)22/h5-8,10H,4,9,11H2,1-3H3,(H,23,25)
InChIKeyJHSXEAOINNWBLW-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529
2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 39793374
2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32941616
N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781403
methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylsulfamoyl]thiophene-2-carboxylate
CID 31070445
2-[(4-ethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26055395
N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782435
2-[(4-fluorophenyl)methylsulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675523
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2450403
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2088389

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 30329201) is 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is JHSXEAOINNWBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-4-9-24(28(26,27)16-10-12(2)5-6-13(16)3)11-17(25)23-15-8-7-14(20)18(21)19(15)22/h5-8,10H,4,9,11H2,1-3H3,(H,23,25).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 414.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 30329201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).