3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide

C24H27N3O3S — CID 78836589

IUPAC3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2cccc3cccnc23)c1
InChIInChI=1S/C24H27N3O3S/c1-18-7-2-3-16-27(18)31(29,30)22-12-5-10-21(17-22)24(28)26-15-13-20-9-4-8-19-11-6-14-25-23(19)20/h4-6,8-12,14,17-18H,2-3,7,13,15-16H2,1H3,(H,26,28)
InChIKeyLXFLHVUFYJULQG-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.77
Rot. Bonds6

About 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide

3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide (PubChem CID 78836589) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide
PubChem CID78836589
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2cccc3cccnc23)c1
InChIInChI=1S/C24H27N3O3S/c1-18-7-2-3-16-27(18)31(29,30)22-12-5-10-21(17-22)24(28)26-15-13-20-9-4-8-19-11-6-14-25-23(19)20/h4-6,8-12,14,17-18H,2-3,7,13,15-16H2,1H3,(H,26,28)
InChIKeyLXFLHVUFYJULQG-UHFFFAOYSA-N
XLogP3.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765094
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463606

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide (CID 78836589) is 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2cccc3cccnc23)c1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The InChIKey is LXFLHVUFYJULQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-18-7-2-3-16-27(18)31(29,30)22-12-5-10-21(17-22)24(28)26-15-13-20-9-4-8-19-11-6-14-25-23(19)20/h4-6,8-12,14,17-18H,2-3,7,13,15-16H2,1H3,(H,26,28).
What are the key properties of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide has a molecular weight of 437.57 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide is sourced from PubChem (CID 78836589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).