N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide

C22H29FN4O3S — CID 10253106

IUPACN-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H29FN4O3S/c1-18(28)25-20-5-4-6-21(17-20)27-15-13-26(14-16-27)12-3-2-11-24-31(29,30)22-9-7-19(23)8-10-22/h4-10,17,24H,2-3,11-16H2,1H3,(H,25,28)
InChIKeyXTYRATUPWPIEHA-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.66
Rot. Bonds9

About N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10253106) has the molecular formula C22H29FN4O3S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10253106
Molecular FormulaC22H29FN4O3S
Molecular Weight448.56 g/mol
Exact Mass448.19
IUPAC NameN-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H29FN4O3S/c1-18(28)25-20-5-4-6-21(17-20)27-15-13-26(14-16-27)12-3-2-11-24-31(29,30)22-9-7-19(23)8-10-22/h4-10,17,24H,2-3,11-16H2,1H3,(H,25,28)
InChIKeyXTYRATUPWPIEHA-UHFFFAOYSA-N
XLogP2.66
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Naluzotan
CID 11430856
Thaumatin
CID 1151816
4-(3-Benzenesulfonamidophenyl)piperazine
CID 11849196
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
4-(4-Fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093238
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
1-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea
CID 137640310
N-(2,4-difluorophenyl)-2-[(phenylsulfonyl)amino]acetamide
CID 900314
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide
CID 2814221
3-(benzenesulfonamido)-N-phenylpropanamide
CID 2978041

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide (CID 10253106) is N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is XTYRATUPWPIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3S/c1-18(28)25-20-5-4-6-21(17-20)27-15-13-26(14-16-27)12-3-2-11-24-31(29,30)22-9-7-19(23)8-10-22/h4-10,17,24H,2-3,11-16H2,1H3,(H,25,28).
What are the key properties of N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 448.56 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10253106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).