N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

C14H19F3N2O4S — CID 9189126

IUPACN-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O4S/c1-13(2,3)18-12(20)9-19(4)24(21,22)11-7-5-10(6-8-11)23-14(15,16)17/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyGULUERWZAAQLAE-UHFFFAOYSA-N
MW368.38 g/mol
LogP2.12
Rot. Bonds5

About N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (PubChem CID 9189126) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
PubChem CID9189126
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC NameN-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O4S/c1-13(2,3)18-12(20)9-19(4)24(21,22)11-7-5-10(6-8-11)23-14(15,16)17/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyGULUERWZAAQLAE-UHFFFAOYSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
2-[benzenesulfonyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26944736
N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 9189054
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide
CID 60960044
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788
2-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 106545297
N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
CID 9189120
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (CID 9189126) is N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is GULUERWZAAQLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-13(2,3)18-12(20)9-19(4)24(21,22)11-7-5-10(6-8-11)23-14(15,16)17/h5-8H,9H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 368.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 9189126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).