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

C27H31N3O4S — CID 55901608

IUPAC3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C27H31N3O4S/c1-20-9-4-6-16-30(20)35(32,33)26-14-8-11-23(18-26)27(31)29-21(2)22-10-7-13-25(17-22)34-19-24-12-3-5-15-28-24/h3,5,7-8,10-15,17-18,20-21H,4,6,9,16,19H2,1-2H3,(H,29,31)
InChIKeyRIRJEOGXQIURIZ-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.71
Rot. Bonds8

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

3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55901608) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55901608
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C27H31N3O4S/c1-20-9-4-6-16-30(20)35(32,33)26-14-8-11-23(18-26)27(31)29-21(2)22-10-7-13-25(17-22)34-19-24-12-3-5-15-28-24/h3,5,7-8,10-15,17-18,20-21H,4,6,9,16,19H2,1-2H3,(H,29,31)
InChIKeyRIRJEOGXQIURIZ-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

N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134010192
3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958408
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958660
4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55693288
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide
CID 51193153
2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 86970699
1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 55902883
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (CID 55901608) is 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is CC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2C)c1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is RIRJEOGXQIURIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-20-9-4-6-16-30(20)35(32,33)26-14-8-11-23(18-26)27(31)29-21(2)22-10-7-13-25(17-22)34-19-24-12-3-5-15-28-24/h3,5,7-8,10-15,17-18,20-21H,4,6,9,16,19H2,1-2H3,(H,29,31).
What are the key properties of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-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 3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55901608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).