3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide

C26H36N4O3S — CID 46333723

IUPAC3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C26H36N4O3S/c1-2-14-28-26(31)22-10-13-25(30-17-15-27-16-18-30)24(19-22)29-34(32,33)23-11-8-21(9-12-23)20-6-4-3-5-7-20/h8-13,19-20,27,29H,2-7,14-18H2,1H3,(H,28,31)
InChIKeySZGCUHXUIFAENU-UHFFFAOYSA-N
MW484.67 g/mol
LogP4.08
Rot. Bonds8

About 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide

3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide (PubChem CID 46333723) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
PubChem CID46333723
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC Name3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C26H36N4O3S/c1-2-14-28-26(31)22-10-13-25(30-17-15-27-16-18-30)24(19-22)29-34(32,33)23-11-8-21(9-12-23)20-6-4-3-5-7-20/h8-13,19-20,27,29H,2-7,14-18H2,1H3,(H,28,31)
InChIKeySZGCUHXUIFAENU-UHFFFAOYSA-N
XLogP4.08
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059418
N-butan-2-yl-3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333635
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059410
N-butyl-3-[(4-cyclohexylphenyl)sulfonylamino]-N-methyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059023
N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333755
3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059425
4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333735
3-[(3-chloro-4-methylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059433
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide;2,2,2-trifluoroacetic acid
CID 146059430
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide?
The IUPAC name of 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide (CID 46333723) is 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide.
What is the SMILES notation for 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide?
The canonical SMILES for 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide is CCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide?
The InChIKey is SZGCUHXUIFAENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-2-14-28-26(31)22-10-13-25(30-17-15-27-16-18-30)24(19-22)29-34(32,33)23-11-8-21(9-12-23)20-6-4-3-5-7-20/h8-13,19-20,27,29H,2-7,14-18H2,1H3,(H,28,31).
What are the key properties of 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide?
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide has a molecular weight of 484.67 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide is sourced from PubChem (CID 46333723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).