2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide

C13H19N3O5S — CID 100814427

IUPAC2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H19N3O5S/c1-9(2)16-13(18)7-15-22(19,20)11-5-3-10(4-6-11)21-8-12(14)17/h3-6,9,15H,7-8H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyMYXAORYRRRAQKH-UHFFFAOYSA-N
MW329.38 g/mol
LogP-0.65
Rot. Bonds8

About 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide

2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 100814427) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
PubChem CID100814427
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H19N3O5S/c1-9(2)16-13(18)7-15-22(19,20)11-5-3-10(4-6-11)21-8-12(14)17/h3-6,9,15H,7-8H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyMYXAORYRRRAQKH-UHFFFAOYSA-N
XLogP-0.65
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 114614169
N-[(2R)-butan-2-yl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126213893
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-[4-(2-methylsulfinylpropylsulfamoyl)phenoxy]acetic acid
CID 104656122
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide (CID 100814427) is 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is MYXAORYRRRAQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-9(2)16-13(18)7-15-22(19,20)11-5-3-10(4-6-11)21-8-12(14)17/h3-6,9,15H,7-8H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 329.38 g/mol, XLogP of -0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 100814427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).