2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H23F3N2O4S — CID 37496925

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C20H23F3N2O4S/c1-4-25(30(27,28)15-10-11-18(29-5-2)14(3)12-15)13-19(26)24-17-9-7-6-8-16(17)20(21,22)23/h6-12H,4-5,13H2,1-3H3,(H,24,26)
InChIKeyCIZCVJNFUQTDBF-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.06
Rot. Bonds8

About 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 37496925) has the molecular formula C20H23F3N2O4S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID37496925
Molecular FormulaC20H23F3N2O4S
Molecular Weight444.48 g/mol
Exact Mass444.13
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C20H23F3N2O4S/c1-4-25(30(27,28)15-10-11-18(29-5-2)14(3)12-15)13-19(26)24-17-9-7-6-8-16(17)20(21,22)23/h6-12H,4-5,13H2,1-3H3,(H,24,26)
InChIKeyCIZCVJNFUQTDBF-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
N-(2,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373249
N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 28548744
N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373387
N-(4-chloro-2-methylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373266
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932
N-(4-bromo-2,6-diethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 100797034
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 47090018
2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18080138
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30168025
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3319169

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 37496925) is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CIZCVJNFUQTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4S/c1-4-25(30(27,28)15-10-11-18(29-5-2)14(3)12-15)13-19(26)24-17-9-7-6-8-16(17)20(21,22)23/h6-12H,4-5,13H2,1-3H3,(H,24,26).
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 444.48 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 37496925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).