2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C23H27FN2O3S — CID 2301453

IUPAC2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1
InChIInChI=1S/C23H27FN2O3S/c24-21-11-13-22(14-12-21)30(28,29)26(17-20-9-5-2-6-10-20)18-23(27)25-16-15-19-7-3-1-4-8-19/h2,5-7,9-14H,1,3-4,8,15-18H2,(H,25,27)
InChIKeyIHHUGWSVMCZUDS-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.02
Rot. Bonds9

About 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 2301453) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID2301453
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1
InChIInChI=1S/C23H27FN2O3S/c24-21-11-13-22(14-12-21)30(28,29)26(17-20-9-5-2-6-10-20)18-23(27)25-16-15-19-7-3-1-4-8-19/h2,5-7,9-14H,1,3-4,8,15-18H2,(H,25,27)
InChIKeyIHHUGWSVMCZUDS-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 2301453) is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is IHHUGWSVMCZUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c24-21-11-13-22(14-12-21)30(28,29)26(17-20-9-5-2-6-10-20)18-23(27)25-16-15-19-7-3-1-4-8-19/h2,5-7,9-14H,1,3-4,8,15-18H2,(H,25,27).
What are the key properties of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 2301453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).