2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C16H25N3O5S — CID 162672066

IUPAC2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCS(=O)(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C16H25N3O5S/c1-3-4-5-6-9-25(22,23)18-12-16(21)19-17-11-13-7-8-14(20)15(10-13)24-2/h7-8,10-11,18,20H,3-6,9,12H2,1-2H3,(H,19,21)/b17-11+
InChIKeyFXGCZEMCJVVMFC-GZTJUZNOSA-N
MW371.46 g/mol
LogP1.35
Rot. Bonds11

About 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 162672066) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID162672066
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCS(=O)(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C16H25N3O5S/c1-3-4-5-6-9-25(22,23)18-12-16(21)19-17-11-13-7-8-14(20)15(10-13)24-2/h7-8,10-11,18,20H,3-6,9,12H2,1-2H3,(H,19,21)/b17-11+
InChIKeyFXGCZEMCJVVMFC-GZTJUZNOSA-N
XLogP1.35
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 162672066) is 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is CCCCCCS(=O)(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1.
What is the InChIKey of 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is FXGCZEMCJVVMFC-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-3-4-5-6-9-25(22,23)18-12-16(21)19-17-11-13-7-8-14(20)15(10-13)24-2/h7-8,10-11,18,20H,3-6,9,12H2,1-2H3,(H,19,21)/b17-11+.
What are the key properties of 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 371.46 g/mol, XLogP of 1.35, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylsulfonylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 162672066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).