N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide

C21H26FN3O3S — CID 18508987

IUPACN-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCN(C(C)=O)c1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C21H26FN3O3S/c1-4-25(16(2)26)20-15-18(24-12-10-23(3)11-13-24)8-9-21(20)29(27,28)19-7-5-6-17(22)14-19/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyRZORIQYWICXUPP-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.78
Rot. Bonds5

About N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide

N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 18508987) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID18508987
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC NameN-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCN(C(C)=O)c1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C21H26FN3O3S/c1-4-25(16(2)26)20-15-18(24-12-10-23(3)11-13-24)8-9-21(20)29(27,28)19-7-5-6-17(22)14-19/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyRZORIQYWICXUPP-UHFFFAOYSA-N
XLogP2.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 18508987) is N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide is CCN(C(C)=O)c1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is RZORIQYWICXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-4-25(16(2)26)20-15-18(24-12-10-23(3)11-13-24)8-9-21(20)29(27,28)19-7-5-6-17(22)14-19/h5-9,14-15H,4,10-13H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 419.52 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 18508987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).