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

C19H21F3N2O3S — CID 39793374

IUPAC2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-3-11-24(28(26,27)14-7-5-13(4-2)6-8-14)12-17(25)23-16-10-9-15(20)18(21)19(16)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,25)
InChIKeyKGNPXUWZDSRRMB-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.71
Rot. Bonds8

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

2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 39793374) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID39793374
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-3-11-24(28(26,27)14-7-5-13(4-2)6-8-14)12-17(25)23-16-10-9-15(20)18(21)19(16)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,25)
InChIKeyKGNPXUWZDSRRMB-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.71
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-[(4-ethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26055395
2-[(4-fluorophenyl)methylsulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675523
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544802
2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 30329201
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 43871730
methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylsulfamoyl]thiophene-2-carboxylate
CID 31070445
2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529
2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32941616
N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide
CID 24678173
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150231
2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113153366
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 39793374) is 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(CC)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KGNPXUWZDSRRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-3-11-24(28(26,27)14-7-5-13(4-2)6-8-14)12-17(25)23-16-10-9-15(20)18(21)19(16)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 414.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 39793374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).