3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide

C23H25N3O4S — CID 55958660

IUPAC3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H25N3O4S/c1-16-10-11-19(14-22(16)26-31(3,28)29)23(27)25-17(2)18-7-6-9-21(13-18)30-15-20-8-4-5-12-24-20/h4-14,17,26H,15H2,1-3H3,(H,25,27)
InChIKeyGYAOQJILUNHDMC-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.83
Rot. Bonds8

About 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide

3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55958660) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55958660
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H25N3O4S/c1-16-10-11-19(14-22(16)26-31(3,28)29)23(27)25-17(2)18-7-6-9-21(13-18)30-15-20-8-4-5-12-24-20/h4-14,17,26H,15H2,1-3H3,(H,25,27)
InChIKeyGYAOQJILUNHDMC-UHFFFAOYSA-N
XLogP3.83
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
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
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
CID 55958530
4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958532
4-methoxy-3-nitro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55902885
3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958408
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
N-[[4-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55902386
3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901608
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (CID 55958660) is 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is GYAOQJILUNHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-10-11-19(14-22(16)26-31(3,28)29)23(27)25-17(2)18-7-6-9-21(13-18)30-15-20-8-4-5-12-24-20/h4-14,17,26H,15H2,1-3H3,(H,25,27).
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 439.54 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55958660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).