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

C23H32N4O3S — CID 10343434

IUPACN-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C23H32N4O3S/c1-19-8-10-23(11-9-19)31(29,30)24-12-3-4-13-26-14-16-27(17-15-26)22-7-5-6-21(18-22)25-20(2)28/h5-11,18,24H,3-4,12-17H2,1-2H3,(H,25,28)
InChIKeyGDSVOHILVQPEJQ-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.83
Rot. Bonds9

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

N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10343434) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10343434
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C23H32N4O3S/c1-19-8-10-23(11-9-19)31(29,30)24-12-3-4-13-26-14-16-27(17-15-26)22-7-5-6-21(18-22)25-20(2)28/h5-11,18,24H,3-4,12-17H2,1-2H3,(H,25,28)
InChIKeyGDSVOHILVQPEJQ-UHFFFAOYSA-N
XLogP2.83
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide (CID 10343434) is N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is GDSVOHILVQPEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-19-8-10-23(11-9-19)31(29,30)24-12-3-4-13-26-14-16-27(17-15-26)22-7-5-6-21(18-22)25-20(2)28/h5-11,18,24H,3-4,12-17H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 444.60 g/mol, XLogP of 2.83, 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-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10343434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).