N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

C11H13F3N2O4S — CID 31075623

IUPACN-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H13F3N2O4S/c1-15-10(17)7-16(2)21(18,19)9-6-4-3-5-8(9)20-11(12,13)14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyFQTQLOZGHGECOW-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.95
Rot. Bonds5

About N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (PubChem CID 31075623) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
PubChem CID31075623
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC NameN-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H13F3N2O4S/c1-15-10(17)7-16(2)21(18,19)9-6-4-3-5-8(9)20-11(12,13)14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyFQTQLOZGHGECOW-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3-hydroxybutyl]-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 97019594
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 8815605
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
2-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 35310374
3,4-difluoro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 105112021
N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 66187577
2-[benzenesulfonyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26944736
4-methoxy-3-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43215464
N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 9189126

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (CID 31075623) is N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is CNC(=O)CN(C)S(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is FQTQLOZGHGECOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-15-10(17)7-16(2)21(18,19)9-6-4-3-5-8(9)20-11(12,13)14/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 326.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 31075623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).