2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide

C10H14N2O4S — CID 82182921

IUPAC2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)CCOc1cccc(N)c1
InChIInChI=1S/C10H14N2O4S/c11-8-2-1-3-9(6-8)16-4-5-17(14,15)7-10(12)13/h1-3,6H,4-5,7,11H2,(H2,12,13)
InChIKeyYEADJQNOTIMLLN-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.45
Rot. Bonds6

About 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide

2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide (PubChem CID 82182921) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
PubChem CID82182921
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)CCOc1cccc(N)c1
InChIInChI=1S/C10H14N2O4S/c11-8-2-1-3-9(6-8)16-4-5-17(14,15)7-10(12)13/h1-3,6H,4-5,7,11H2,(H2,12,13)
InChIKeyYEADJQNOTIMLLN-UHFFFAOYSA-N
XLogP-0.45
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-aminophenoxy)ethylsulfonyl]propan-2-one
CID 82182930
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
CID 65310670
2-(3-aminophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 107478035
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
3-(2-ethylsulfonylethoxy)benzenecarbothioamide
CID 43807796
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
4-[2-(3-aminophenoxy)ethylsulfonyl]piperazine-2,6-dione
CID 66085634

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide?
The IUPAC name of 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide (CID 82182921) is 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide.
What is the SMILES notation for 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide?
The canonical SMILES for 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide is NC(=O)CS(=O)(=O)CCOc1cccc(N)c1.
What is the InChIKey of 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide?
The InChIKey is YEADJQNOTIMLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c11-8-2-1-3-9(6-8)16-4-5-17(14,15)7-10(12)13/h1-3,6H,4-5,7,11H2,(H2,12,13).
What are the key properties of 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide?
2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide has a molecular weight of 258.30 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide is sourced from PubChem (CID 82182921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).