5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide

C26H38N4O3S — CID 46379578

IUPAC5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)N(CC(C)C)CC(C)C)c2)cc1
InChIInChI=1S/C26H38N4O3S/c1-19(2)17-30(18-20(3)4)26(31)24-16-22(8-11-25(24)29-14-12-27-13-15-29)28-34(32,33)23-9-6-21(5)7-10-23/h6-11,16,19-20,27-28H,12-15,17-18H2,1-5H3
InChIKeyLFAYQENPGYSYAF-UHFFFAOYSA-N
MW486.68 g/mol
LogP3.96
Rot. Bonds9

About 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide

5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide (PubChem CID 46379578) has the molecular formula C26H38N4O3S and a molecular weight of 486.68 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
PubChem CID46379578
Molecular FormulaC26H38N4O3S
Molecular Weight486.68 g/mol
Exact Mass486.27
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)N(CC(C)C)CC(C)C)c2)cc1
InChIInChI=1S/C26H38N4O3S/c1-19(2)17-30(18-20(3)4)26(31)24-16-22(8-11-25(24)29-14-12-27-13-15-29)28-34(32,33)23-9-6-21(5)7-10-23/h6-11,16,19-20,27-28H,12-15,17-18H2,1-5H3
InChIKeyLFAYQENPGYSYAF-UHFFFAOYSA-N
XLogP3.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333292
5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379655
5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
CID 20972171
5-[(4-methylphenyl)sulfonylamino]-2-pyrrolidin-1-ylbenzoic acid
CID 169370562
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylbenzamide
CID 46379635
5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
CID 46379559
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883
N-[(2S)-butan-2-yl]-5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92880534
N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide
CID 46379624
N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 50822497
N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 20972197
5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
CID 50822911

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide (CID 46379578) is 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)N(CC(C)C)CC(C)C)c2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide?
The InChIKey is LFAYQENPGYSYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3S/c1-19(2)17-30(18-20(3)4)26(31)24-16-22(8-11-25(24)29-14-12-27-13-15-29)28-34(32,33)23-9-6-21(5)7-10-23/h6-11,16,19-20,27-28H,12-15,17-18H2,1-5H3.
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide?
5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide has a molecular weight of 486.68 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 46379578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).