2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide

C15H17Cl2N3O5S — CID 108572839

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O5S/c1-9-15(10(2)25-20-9)26(22,23)19-6-5-18-14(21)8-24-13-4-3-11(16)7-12(13)17/h3-4,7,19H,5-6,8H2,1-2H3,(H,18,21)
InChIKeyAGJDBPGINUVWSY-UHFFFAOYSA-N
MW422.29 g/mol
LogP2.07
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide (PubChem CID 108572839) has the molecular formula C15H17Cl2N3O5S and a molecular weight of 422.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
PubChem CID108572839
Molecular FormulaC15H17Cl2N3O5S
Molecular Weight422.29 g/mol
Exact Mass421.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O5S/c1-9-15(10(2)25-20-9)26(22,23)19-6-5-18-14(21)8-24-13-4-3-11(16)7-12(13)17/h3-4,7,19H,5-6,8H2,1-2H3,(H,18,21)
InChIKeyAGJDBPGINUVWSY-UHFFFAOYSA-N
XLogP2.07
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 108572427
2-(2,4-dichlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572836
2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572838
3-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571403
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
N-(5-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 29355283
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 26942614
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
2-(2,4-dichlorophenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 978969
2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188783
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084757

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide (CID 108572839) is 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide is Cc1noc(C)c1S(=O)(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is AGJDBPGINUVWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O5S/c1-9-15(10(2)25-20-9)26(22,23)19-6-5-18-14(21)8-24-13-4-3-11(16)7-12(13)17/h3-4,7,19H,5-6,8H2,1-2H3,(H,18,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 422.29 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 108572839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).