N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide

C18H19N3O5S — CID 90624645

IUPACN-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(NS(=O)(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C18H19N3O5S/c1-13(22)19-10-11-25-15-8-6-14(7-9-15)21-27(23,24)12-17-16-4-2-3-5-18(16)26-20-17/h2-9,21H,10-12H2,1H3,(H,19,22)
InChIKeyJROPJALHVBWXEF-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.28
Rot. Bonds8

About N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide

N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide (PubChem CID 90624645) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide
PubChem CID90624645
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(NS(=O)(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C18H19N3O5S/c1-13(22)19-10-11-25-15-8-6-14(7-9-15)21-27(23,24)12-17-16-4-2-3-5-18(16)26-20-17/h2-9,21H,10-12H2,1H3,(H,19,22)
InChIKeyJROPJALHVBWXEF-UHFFFAOYSA-N
XLogP2.28
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.28
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

1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide
CID 90624648
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
ethyl 4-(1,2-benzoxazol-3-ylmethylsulfonylamino)benzoate
CID 90624454
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
CID 72719846
1-(1,2-benzoxazol-3-yl)-N-(2-ethoxypyrimidin-5-yl)methanesulfonamide
CID 122302144
1-(1,2-benzoxazol-3-yl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122310656
1-(1,2-benzoxazol-3-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]methanesulfonamide
CID 122313302
1-(1,2-benzoxazol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 90624501
1-(1,2-benzoxazol-3-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122312546
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide (CID 90624645) is N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide is CC(=O)NCCOc1ccc(NS(=O)(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide?
The InChIKey is JROPJALHVBWXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-13(22)19-10-11-25-15-8-6-14(7-9-15)21-27(23,24)12-17-16-4-2-3-5-18(16)26-20-17/h2-9,21H,10-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide?
N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide is sourced from PubChem (CID 90624645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).