5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide

C25H42N4O3S — CID 20630295

IUPAC5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H42N4O3S/c1-25(2,3)33(31,32)26-16-8-7-11-24(30)27-21-12-14-23(15-13-21)29-19-17-28(18-20-29)22-9-5-4-6-10-22/h12-15,22,26H,4-11,16-20H2,1-3H3,(H,27,30)
InChIKeyMFEWALNZAMWNER-UHFFFAOYSA-N
MW478.70 g/mol
LogP3.97
Rot. Bonds9

About 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide

5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide (PubChem CID 20630295) has the molecular formula C25H42N4O3S and a molecular weight of 478.70 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide
PubChem CID20630295
Molecular FormulaC25H42N4O3S
Molecular Weight478.70 g/mol
Exact Mass478.30
IUPAC Name5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H42N4O3S/c1-25(2,3)33(31,32)26-16-8-7-11-24(30)27-21-12-14-23(15-13-21)29-19-17-28(18-20-29)22-9-5-4-6-10-22/h12-15,22,26H,4-11,16-20H2,1-3H3,(H,27,30)
InChIKeyMFEWALNZAMWNER-UHFFFAOYSA-N
XLogP3.97
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.70
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630293
5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
CID 58958265
5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
2-methyl-N-[5-[4-(4-methylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide
CID 59230957
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
CID 110288064
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112502781
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
CID 3578514
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline
CID 110621030
N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
CID 20629712

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide (CID 20630295) is 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide?
The InChIKey is MFEWALNZAMWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O3S/c1-25(2,3)33(31,32)26-16-8-7-11-24(30)27-21-12-14-23(15-13-21)29-19-17-28(18-20-29)22-9-5-4-6-10-22/h12-15,22,26H,4-11,16-20H2,1-3H3,(H,27,30).
What are the key properties of 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide?
5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide has a molecular weight of 478.70 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 20630295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).