N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide

C13H17FN2O4S — CID 110305340

IUPACN-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)CCOc1ccc(F)cc1)NC1CC1
InChIInChI=1S/C13H17FN2O4S/c14-10-1-5-12(6-2-10)20-7-8-21(18,19)15-9-13(17)16-11-3-4-11/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17)
InChIKeyNPEUVRARDYGIIA-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.40
Rot. Bonds8

About N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide

N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide (PubChem CID 110305340) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
PubChem CID110305340
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)CCOc1ccc(F)cc1)NC1CC1
InChIInChI=1S/C13H17FN2O4S/c14-10-1-5-12(6-2-10)20-7-8-21(18,19)15-9-13(17)16-11-3-4-11/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17)
InChIKeyNPEUVRARDYGIIA-UHFFFAOYSA-N
XLogP0.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-(2-fluorophenyl)ethylsulfonylamino]acetamide
CID 110305291
N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
CID 110407155
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110618586
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
N-cyclopropyl-2-(2-hydroxyethylsulfonylamino)acetamide
CID 79588879
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide
CID 159106921
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
CID 110306666
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
N-cyclohexyl-2-[(2,4-difluorophenyl)sulfonylamino]acetamide
CID 51099663

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide (CID 110305340) is N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide is O=C(CNS(=O)(=O)CCOc1ccc(F)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide?
The InChIKey is NPEUVRARDYGIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c14-10-1-5-12(6-2-10)20-7-8-21(18,19)15-9-13(17)16-11-3-4-11/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17).
What are the key properties of N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide?
N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide has a molecular weight of 316.35 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide is sourced from PubChem (CID 110305340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).