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

C22H30N4O3S — CID 46333732

IUPAC3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(CC)cc2)c1
InChIInChI=1S/C22H30N4O3S/c1-3-11-24-22(27)18-7-10-21(26-14-12-23-13-15-26)20(16-18)25-30(28,29)19-8-5-17(4-2)6-9-19/h5-10,16,23,25H,3-4,11-15H2,1-2H3,(H,24,27)
InChIKeyBEBFIWHXPOMRBI-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.60
Rot. Bonds8

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

3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide (PubChem CID 46333732) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
PubChem CID46333732
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(CC)cc2)c1
InChIInChI=1S/C22H30N4O3S/c1-3-11-24-22(27)18-7-10-21(26-14-12-23-13-15-26)20(16-18)25-30(28,29)19-8-5-17(4-2)6-9-19/h5-10,16,23,25H,3-4,11-15H2,1-2H3,(H,24,27)
InChIKeyBEBFIWHXPOMRBI-UHFFFAOYSA-N
XLogP2.60
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333755
N-ethyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059399
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333723
3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059425
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059410
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
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059418
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146059279
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828
4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide;2,2,2-trifluoroacetic acid
CID 146059430

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide?
The IUPAC name of 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide (CID 46333732) is 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide.
What is the SMILES notation for 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide?
The canonical SMILES for 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide is CCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(CC)cc2)c1.
What is the InChIKey of 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide?
The InChIKey is BEBFIWHXPOMRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-3-11-24-22(27)18-7-10-21(26-14-12-23-13-15-26)20(16-18)25-30(28,29)19-8-5-17(4-2)6-9-19/h5-10,16,23,25H,3-4,11-15H2,1-2H3,(H,24,27).
What are the key properties of 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide?
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide is sourced from PubChem (CID 46333732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).