(3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate

C17H15F3N2O5S — CID 55641591

IUPAC(3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESNC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3N2O5S/c18-17(19,20)13-5-2-6-14(8-13)28(25,26)22-9-15(23)27-10-11-3-1-4-12(7-11)16(21)24/h1-8,22H,9-10H2,(H2,21,24)
InChIKeyMXAZOMNUMCBCFK-UHFFFAOYSA-N
MW416.38 g/mol
LogP1.83
Rot. Bonds7

About (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate

(3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate (PubChem CID 55641591) has the molecular formula C17H15F3N2O5S and a molecular weight of 416.38 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
PubChem CID55641591
Molecular FormulaC17H15F3N2O5S
Molecular Weight416.38 g/mol
Exact Mass416.07
IUPAC Name(3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESNC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3N2O5S/c18-17(19,20)13-5-2-6-14(8-13)28(25,26)22-9-15(23)27-10-11-3-1-4-12(7-11)16(21)24/h1-8,22H,9-10H2,(H2,21,24)
InChIKeyMXAZOMNUMCBCFK-UHFFFAOYSA-N
XLogP1.83
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399245
(4-fluorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42965943
2-(4-methylphenoxy)ethyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 7982933
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55373876
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55324613
benzyl 2-[(3-methylphenyl)sulfonylamino]acetate
CID 3735123
[2-(1-adamantyl)-2-oxoethyl] 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 30476272
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
(2,6-dichlorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2382756
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The IUPAC name of (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate (CID 55641591) is (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The canonical SMILES for (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate is NC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The InChIKey is MXAZOMNUMCBCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O5S/c18-17(19,20)13-5-2-6-14(8-13)28(25,26)22-9-15(23)27-10-11-3-1-4-12(7-11)16(21)24/h1-8,22H,9-10H2,(H2,21,24).
What are the key properties of (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate?
(3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate has a molecular weight of 416.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 55641591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).