3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide

C26H38N4O3S — CID 46333292

IUPAC3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CCNCC2)cc1
InChIInChI=1S/C26H38N4O3S/c1-19(2)17-30(18-20(3)4)26(31)22-8-11-25(29-14-12-27-13-15-29)24(16-22)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
InChIKeyLNRPXHXIVLVDBG-UHFFFAOYSA-N
MW486.68 g/mol
LogP3.96
Rot. Bonds9

About 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide

3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide (PubChem CID 46333292) has the molecular formula C26H38N4O3S and a molecular weight of 486.68 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
PubChem CID46333292
Molecular FormulaC26H38N4O3S
Molecular Weight486.68 g/mol
Exact Mass486.27
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CCNCC2)cc1
InChIInChI=1S/C26H38N4O3S/c1-19(2)17-30(18-20(3)4)26(31)22-8-11-25(29-14-12-27-13-15-29)24(16-22)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
InChIKeyLNRPXHXIVLVDBG-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

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Related Compounds

5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379578
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872260
3-[(4-bromophenyl)sulfonylamino]-N,N-diethyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146058882
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
N-butyl-N-methyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333391
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297
3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide
CID 46333538
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-ylbenzamide
CID 46333381
N-butan-2-yl-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 5164711
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
4-methyl-N-[5-(4-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058991

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide (CID 46333292) is 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CCNCC2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide?
The InChIKey is LNRPXHXIVLVDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3S/c1-19(2)17-30(18-20(3)4)26(31)22-8-11-25(29-14-12-27-13-15-29)24(16-22)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 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide?
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-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 3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).