3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide

C16H23N3O3S — CID 109062420

IUPAC3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC)CC2)c1
InChIInChI=1S/C16H23N3O3S/c1-3-8-17-16(20)14-6-5-7-15(13-14)23(21,22)19-11-9-18(4-2)10-12-19/h3,5-7,13H,1,4,8-12H2,2H3,(H,17,20)
InChIKeyJPSIYRWOPUAMKW-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.93
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide

3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide (PubChem CID 109062420) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
PubChem CID109062420
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC)CC2)c1
InChIInChI=1S/C16H23N3O3S/c1-3-8-17-16(20)14-6-5-7-15(13-14)23(21,22)19-11-9-18(4-2)10-12-19/h3,5-7,13H,1,4,8-12H2,2H3,(H,17,20)
InChIKeyJPSIYRWOPUAMKW-UHFFFAOYSA-N
XLogP0.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 51121166
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-N-prop-2-enylbenzamide
CID 55871159
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 109064326
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 55915923
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
3-(4-benzyl-3,3-dimethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 86892603
N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide
CID 95163333
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
4-[3-(4-ethylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109064308
4-(4-benzylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109058451
3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 55907476

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide (CID 109062420) is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC)CC2)c1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide?
The InChIKey is JPSIYRWOPUAMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-8-17-16(20)14-6-5-7-15(13-14)23(21,22)19-11-9-18(4-2)10-12-19/h3,5-7,13H,1,4,8-12H2,2H3,(H,17,20).
What are the key properties of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide?
3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide has a molecular weight of 337.45 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 109062420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).