N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide

C23H32N4O4S — CID 42389365

IUPACN-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C23H32N4O4S/c1-3-23(28)25-19-5-11-22(12-6-19)32(29,30)24-13-4-14-26-15-17-27(18-16-26)20-7-9-21(31-2)10-8-20/h5-12,24H,3-4,13-18H2,1-2H3,(H,25,28)
InChIKeyWSSRQXFQAHFYFZ-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.53
Rot. Bonds10

About N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide

N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide (PubChem CID 42389365) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide
PubChem CID42389365
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C23H32N4O4S/c1-3-23(28)25-19-5-11-22(12-6-19)32(29,30)24-13-4-14-26-15-17-27(18-16-26)20-7-9-21(31-2)10-8-20/h5-12,24H,3-4,13-18H2,1-2H3,(H,25,28)
InChIKeyWSSRQXFQAHFYFZ-UHFFFAOYSA-N
XLogP2.53
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389259
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]-3-methylphenyl]acetamide
CID 42389371
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42389281
4-methoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266899
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 42267599
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-nitrobenzenesulfonamide
CID 42267548
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
2,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389269
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide (CID 42389365) is N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide?
The InChIKey is WSSRQXFQAHFYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-3-23(28)25-19-5-11-22(12-6-19)32(29,30)24-13-4-14-26-15-17-27(18-16-26)20-7-9-21(31-2)10-8-20/h5-12,24H,3-4,13-18H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide?
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide has a molecular weight of 460.60 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 42389365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).