N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide

C14H19F3N2O4S — CID 134466629

IUPACN-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide
SMILESCCOC(CCNC(=O)c1ccccc1)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H19F3N2O4S/c1-2-23-12(10-19-24(21,22)14(15,16)17)8-9-18-13(20)11-6-4-3-5-7-11/h3-7,12,19H,2,8-10H2,1H3,(H,18,20)
InChIKeyCPYSIBPBMFVQFF-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.65
Rot. Bonds9

About N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide

N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide (PubChem CID 134466629) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide
PubChem CID134466629
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC NameN-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide
SMILESCCOC(CCNC(=O)c1ccccc1)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H19F3N2O4S/c1-2-23-12(10-19-24(21,22)14(15,16)17)8-9-18-13(20)11-6-4-3-5-7-11/h3-7,12,19H,2,8-10H2,1H3,(H,18,20)
InChIKeyCPYSIBPBMFVQFF-UHFFFAOYSA-N
XLogP1.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide
CID 134466501
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332
N-(3-phenylbutyl)benzamide
CID 62403316
methyl 4-benzamidobutanoate
CID 13197711
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
6-benzamidohexan-2-yl benzoate
CID 67531968
ethyl 2-(2-benzamidoethylsulfonylamino)acetate
CID 7600976
N-(4-oxopentyl)benzamide
CID 10798281
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide?
The IUPAC name of N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide (CID 134466629) is N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide.
What is the SMILES notation for N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide?
The canonical SMILES for N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide is CCOC(CCNC(=O)c1ccccc1)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide?
The InChIKey is CPYSIBPBMFVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-2-23-12(10-19-24(21,22)14(15,16)17)8-9-18-13(20)11-6-4-3-5-7-11/h3-7,12,19H,2,8-10H2,1H3,(H,18,20).
What are the key properties of N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide?
N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide has a molecular weight of 368.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide is sourced from PubChem (CID 134466629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).