3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

C20H25FN4O3S — CID 162657934

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESC1CN(CCN1CCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F
InChIInChI=1S/C20H25FN4O3S/c21-17-3-5-18(6-4-17)25-13-11-24(12-14-25)10-9-20(26)23-15-16-1-7-19(8-2-16)29(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28)
InChIKeyPRDBAMITAOOWDT-UHFFFAOYSA-N
MW420.50 g/mol
LogP1.30
Rot. Bonds7

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 162657934) has the molecular formula C20H25FN4O3S and a molecular weight of 420.50 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID162657934
Molecular FormulaC20H25FN4O3S
Molecular Weight420.50 g/mol
Exact Mass420.16
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESC1CN(CCN1CCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F
InChIInChI=1S/C20H25FN4O3S/c21-17-3-5-18(6-4-17)25-13-11-24(12-14-25)10-9-20(26)23-15-16-1-7-19(8-2-16)29(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28)
InChIKeyPRDBAMITAOOWDT-UHFFFAOYSA-N
XLogP1.30
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity618

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
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2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2474404
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 4843067
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
3-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 6457724
N,N-dimethylformamide;3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 44246704
4-{4-[(4-Phenylpiperazin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 2974169

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 162657934) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is C1CN(CCN1CCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is PRDBAMITAOOWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3S/c21-17-3-5-18(6-4-17)25-13-11-24(12-14-25)10-9-20(26)23-15-16-1-7-19(8-2-16)29(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 420.50 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 162657934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).