3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide

C19H24N4O3S — CID 109064311

IUPAC3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C19H24N4O3S/c1-2-22-10-12-23(13-11-22)27(25,26)18-8-5-6-16(14-18)19(24)21-15-17-7-3-4-9-20-17/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
InChIKeyHJABEEMJWJTJKF-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.34
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide

3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 109064311) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID109064311
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C19H24N4O3S/c1-2-22-10-12-23(13-11-22)27(25,26)18-8-5-6-16(14-18)19(24)21-15-17-7-3-4-9-20-17/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
InChIKeyHJABEEMJWJTJKF-UHFFFAOYSA-N
XLogP1.34
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109062420
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761
3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 77097656
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 109064326
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
CID 7945609
3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26215762
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide
CID 26224528
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 55915923

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 109064311) is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide is CCN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HJABEEMJWJTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-2-22-10-12-23(13-11-22)27(25,26)18-8-5-6-16(14-18)19(24)21-15-17-7-3-4-9-20-17/h3-9,14H,2,10-13,15H2,1H3,(H,21,24).
What are the key properties of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 109064311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).