N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide

C17H17F3N2O3S — CID 2418452

IUPACN-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide
SMILESCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c1-2-21-14-9-8-13(26(24,25)17(18,19)20)11-15(14)22-16(23)10-12-6-4-3-5-7-12/h3-9,11,21H,2,10H2,1H3,(H,22,23)
InChIKeyKMXOMUMDCNIMDT-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide

N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide (PubChem CID 2418452) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide
PubChem CID2418452
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide
SMILESCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c1-2-21-14-9-8-13(26(24,25)17(18,19)20)11-15(14)22-16(23)10-12-6-4-3-5-7-12/h3-9,11,21H,2,10H2,1H3,(H,22,23)
InChIKeyKMXOMUMDCNIMDT-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide (CID 2418452) is N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide is CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide?
The InChIKey is KMXOMUMDCNIMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-2-21-14-9-8-13(26(24,25)17(18,19)20)11-15(14)22-16(23)10-12-6-4-3-5-7-12/h3-9,11,21H,2,10H2,1H3,(H,22,23).
What are the key properties of N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide?
N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide has a molecular weight of 386.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 2418452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).