[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate

C16H18ClF3N2O5S — CID 55399394

IUPAC[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESCC(NC(=O)COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1
InChIInChI=1S/C16H18ClF3N2O5S/c1-9(10-2-3-10)22-14(23)8-27-15(24)7-21-28(25,26)13-6-11(16(18,19)20)4-5-12(13)17/h4-6,9-10,21H,2-3,7-8H2,1H3,(H,22,23)
InChIKeyXXEZRWBUWYBWQG-UHFFFAOYSA-N
MW442.84 g/mol
LogP2.10
Rot. Bonds8

About [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate

[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate (PubChem CID 55399394) has the molecular formula C16H18ClF3N2O5S and a molecular weight of 442.84 g/mol. Its IUPAC name is [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
PubChem CID55399394
Molecular FormulaC16H18ClF3N2O5S
Molecular Weight442.84 g/mol
Exact Mass442.06
IUPAC Name[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESCC(NC(=O)COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1
InChIInChI=1S/C16H18ClF3N2O5S/c1-9(10-2-3-10)22-14(23)8-27-15(24)7-21-28(25,26)13-6-11(16(18,19)20)4-5-12(13)17/h4-6,9-10,21H,2-3,7-8H2,1H3,(H,22,23)
InChIKeyXXEZRWBUWYBWQG-UHFFFAOYSA-N
XLogP2.10
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.84
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 2097178
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3311116
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43240869
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55502691
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 4984455
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The IUPAC name of [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate (CID 55399394) is [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate.
What is the SMILES notation for [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The canonical SMILES for [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate is CC(NC(=O)COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1.
What is the InChIKey of [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The InChIKey is XXEZRWBUWYBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O5S/c1-9(10-2-3-10)22-14(23)8-27-15(24)7-21-28(25,26)13-6-11(16(18,19)20)4-5-12(13)17/h4-6,9-10,21H,2-3,7-8H2,1H3,(H,22,23).
What are the key properties of [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate?
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate has a molecular weight of 442.84 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 55399394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).