4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide

C24H35N3O3S — CID 42389259

IUPAC4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H35N3O3S/c1-24(2,3)20-6-12-23(13-7-20)31(28,29)25-14-5-15-26-16-18-27(19-17-26)21-8-10-22(30-4)11-9-21/h6-13,25H,5,14-19H2,1-4H3
InChIKeyWTRPVOGNTMPSLD-UHFFFAOYSA-N
MW445.63 g/mol
LogP3.48
Rot. Bonds8

About 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide

4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide (PubChem CID 42389259) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
PubChem CID42389259
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC Name4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H35N3O3S/c1-24(2,3)20-6-12-23(13-7-20)31(28,29)25-14-5-15-26-16-18-27(19-17-26)21-8-10-22(30-4)11-9-21/h6-13,25H,5,14-19H2,1-4H3
InChIKeyWTRPVOGNTMPSLD-UHFFFAOYSA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide
CID 42389365
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
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
2,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389269
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6625085
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42389539
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]-3-methylphenyl]acetamide
CID 42389371
2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 42267582
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide (CID 42389259) is 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide is COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The InChIKey is WTRPVOGNTMPSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-24(2,3)20-6-12-23(13-7-20)31(28,29)25-14-5-15-26-16-18-27(19-17-26)21-8-10-22(30-4)11-9-21/h6-13,25H,5,14-19H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide?
4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide has a molecular weight of 445.63 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 42389259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).