N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide

C12H17FN2O4S — CID 110758076

IUPACN-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1F
InChIInChI=1S/C12H17FN2O4S/c1-3-19-12-5-4-10(8-11(12)13)20(17,18)15-7-6-14-9(2)16/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyRBKNZDQISOQQKA-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.64
Rot. Bonds7

About N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide

N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 110758076) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide
PubChem CID110758076
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1F
InChIInChI=1S/C12H17FN2O4S/c1-3-19-12-5-4-10(8-11(12)13)20(17,18)15-7-6-14-9(2)16/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyRBKNZDQISOQQKA-UHFFFAOYSA-N
XLogP0.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide (CID 110758076) is N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide is CCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1F.
What is the InChIKey of N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is RBKNZDQISOQQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-3-19-12-5-4-10(8-11(12)13)20(17,18)15-7-6-14-9(2)16/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 110758076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).