N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C17H17F3N2O3S — CID 26534767

IUPACN-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)14-7-4-8-15(11-14)26(24,25)22-10-9-16(23)21-12-13-5-2-1-3-6-13/h1-8,11,22H,9-10,12H2,(H,21,23)
InChIKeyFQOVKMHMOBXGTC-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.69
Rot. Bonds7

About N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 26534767) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID26534767
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)14-7-4-8-15(11-14)26(24,25)22-10-9-16(23)21-12-13-5-2-1-3-6-13/h1-8,11,22H,9-10,12H2,(H,21,23)
InChIKeyFQOVKMHMOBXGTC-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502
2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoylamino]acetic acid
CID 119350481
N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide
CID 56548673
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138
N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24628332
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
N-[2-(methylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119503433
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505
N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24639452
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256
N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24538040

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 26534767) is N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is FQOVKMHMOBXGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c18-17(19,20)14-7-4-8-15(11-14)26(24,25)22-10-9-16(23)21-12-13-5-2-1-3-6-13/h1-8,11,22H,9-10,12H2,(H,21,23).
What are the key properties of N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 386.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 26534767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).