methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate

C12H15F3N2O4S — CID 122157965

IUPACmethyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
SMILESCNS(=O)(=O)N(CC(=O)OC)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O4S/c1-16-22(19,20)17(8-11(18)21-2)7-9-3-5-10(6-4-9)12(13,14)15/h3-6,16H,7-8H2,1-2H3
InChIKeyVPJYHYKVOVOGRF-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.14
Rot. Bonds6

About methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate

methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate (PubChem CID 122157965) has the molecular formula C12H15F3N2O4S and a molecular weight of 340.32 g/mol. Its IUPAC name is methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
PubChem CID122157965
Molecular FormulaC12H15F3N2O4S
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Namemethyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
SMILESCNS(=O)(=O)N(CC(=O)OC)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O4S/c1-16-22(19,20)17(8-11(18)21-2)7-9-3-5-10(6-4-9)12(13,14)15/h3-6,16H,7-8H2,1-2H3
InChIKeyVPJYHYKVOVOGRF-UHFFFAOYSA-N
XLogP1.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
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methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
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2-[benzyl(methylsulfamoyl)amino]acetic acid
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methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
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ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
7-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]heptanoic acid
CID 22246978
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
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methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The IUPAC name of methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate (CID 122157965) is methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The canonical SMILES for methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate is CNS(=O)(=O)N(CC(=O)OC)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The InChIKey is VPJYHYKVOVOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O4S/c1-16-22(19,20)17(8-11(18)21-2)7-9-3-5-10(6-4-9)12(13,14)15/h3-6,16H,7-8H2,1-2H3.
What are the key properties of methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate has a molecular weight of 340.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate is sourced from PubChem (CID 122157965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).