N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide

C21H26FN3O4S — CID 55596310

IUPACN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCOc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H26FN3O4S/c1-2-24-12-14-25(15-13-24)30(27,28)20-9-5-18(6-10-20)23-21(26)11-16-29-19-7-3-17(22)4-8-19/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyMGCJKTYUVBIPMW-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.56
Rot. Bonds8

About N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide

N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide (PubChem CID 55596310) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide
PubChem CID55596310
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCOc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H26FN3O4S/c1-2-24-12-14-25(15-13-24)30(27,28)20-9-5-18(6-10-20)23-21(26)11-16-29-19-7-3-17(22)4-8-19/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyMGCJKTYUVBIPMW-UHFFFAOYSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 30991886
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
CID 112816800
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5190053
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39724550
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55375869
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide
CID 49319709
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide (CID 55596310) is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCOc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide?
The InChIKey is MGCJKTYUVBIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-2-24-12-14-25(15-13-24)30(27,28)20-9-5-18(6-10-20)23-21(26)11-16-29-19-7-3-17(22)4-8-19/h3-10H,2,11-16H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide?
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide has a molecular weight of 435.52 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 55596310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).