N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide

C17H19ClN2O5S — CID 108574386

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O5S/c1-24-15-4-2-3-5-16(15)25-12-17(21)19-10-11-20-26(22,23)14-8-6-13(18)7-9-14/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyFDEZQKMVXONXAJ-UHFFFAOYSA-N
MW398.87 g/mol
LogP1.82
Rot. Bonds9

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 108574386) has the molecular formula C17H19ClN2O5S and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID108574386
Molecular FormulaC17H19ClN2O5S
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O5S/c1-24-15-4-2-3-5-16(15)25-12-17(21)19-10-11-20-26(22,23)14-8-6-13(18)7-9-14/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyFDEZQKMVXONXAJ-UHFFFAOYSA-N
XLogP1.82
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108572656
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
2-(2-ethylphenoxy)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 108574520
2-(2,4-dichlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572836
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108541249
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 55546294
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4936798
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572497
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30763943

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide (CID 108574386) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is FDEZQKMVXONXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S/c1-24-15-4-2-3-5-16(15)25-12-17(21)19-10-11-20-26(22,23)14-8-6-13(18)7-9-14/h2-9,20H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 398.87 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 108574386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).