4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

C27H31N3O4S — CID 55693288

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C27H31N3O4S/c1-20-6-3-4-17-30(20)35(32,33)26-14-10-24(11-15-26)27(31)29-21(2)23-8-12-25(13-9-23)34-19-22-7-5-16-28-18-22/h5,7-16,18,20-21H,3-4,6,17,19H2,1-2H3,(H,29,31)
InChIKeyAGNMBMCWQSOOED-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.71
Rot. Bonds8

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55693288) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55693288
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C27H31N3O4S/c1-20-6-3-4-17-30(20)35(32,33)26-14-10-24(11-15-26)27(31)29-21(2)23-8-12-25(13-9-23)34-19-22-7-5-16-28-18-22/h5,7-16,18,20-21H,3-4,6,17,19H2,1-2H3,(H,29,31)
InChIKeyAGNMBMCWQSOOED-UHFFFAOYSA-N
XLogP4.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide
CID 51193153
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134010192
3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901608
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463459
4-(2-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55899509
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
CID 9331872
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46476011
5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46485568

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (CID 55693288) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is CC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is AGNMBMCWQSOOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-20-6-3-4-17-30(20)35(32,33)26-14-10-24(11-15-26)27(31)29-21(2)23-8-12-25(13-9-23)34-19-22-7-5-16-28-18-22/h5,7-16,18,20-21H,3-4,6,17,19H2,1-2H3,(H,29,31).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 493.63 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55693288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).