N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C17H15F5N2O4S — CID 56548477

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C17H15F5N2O4S/c18-16(19)28-13-5-1-3-11(7-13)9-23-15(25)10-24-29(26,27)14-6-2-4-12(8-14)17(20,21)22/h1-8,16,24H,9-10H2,(H,23,25)
InChIKeyDORAIUAJBMTQRK-UHFFFAOYSA-N
MW438.37 g/mol
LogP2.90
Rot. Bonds8

About N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 56548477) has the molecular formula C17H15F5N2O4S and a molecular weight of 438.37 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID56548477
Molecular FormulaC17H15F5N2O4S
Molecular Weight438.37 g/mol
Exact Mass438.07
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C17H15F5N2O4S/c18-16(19)28-13-5-1-3-11(7-13)9-23-15(25)10-24-29(26,27)14-6-2-4-12(8-14)17(20,21)22/h1-8,16,24H,9-10H2,(H,23,25)
InChIKeyDORAIUAJBMTQRK-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide
CID 56548673
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548582
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783
3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide
CID 49457332
N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548668
N-[2-(ethylamino)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 119509116

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 56548477) is N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is DORAIUAJBMTQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O4S/c18-16(19)28-13-5-1-3-11(7-13)9-23-15(25)10-24-29(26,27)14-6-2-4-12(8-14)17(20,21)22/h1-8,16,24H,9-10H2,(H,23,25).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 438.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 56548477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).