3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide

C24H25N3O4S — CID 55958408

IUPAC3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(OCc3ccccn3)c2)c1
InChIInChI=1S/C24H25N3O4S/c1-3-13-26-32(29,30)23-12-7-9-20(16-23)24(28)27-18(2)19-8-6-11-22(15-19)31-17-21-10-4-5-14-25-21/h3-12,14-16,18,26H,1,13,17H2,2H3,(H,27,28)
InChIKeyBFIYBMYEBYEXGZ-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.62
Rot. Bonds10

About 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide

3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55958408) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55958408
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(OCc3ccccn3)c2)c1
InChIInChI=1S/C24H25N3O4S/c1-3-13-26-32(29,30)23-12-7-9-20(16-23)24(28)27-18(2)19-8-6-11-22(15-19)31-17-21-10-4-5-14-25-21/h3-12,14-16,18,26H,1,13,17H2,2H3,(H,27,28)
InChIKeyBFIYBMYEBYEXGZ-UHFFFAOYSA-N
XLogP3.62
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958532
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901608
3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958660
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
CID 55958530
4-methoxy-3-nitro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55902885
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
(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
N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
CID 56545254

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (CID 55958408) is 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(OCc3ccccn3)c2)c1.
What is the InChIKey of 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is BFIYBMYEBYEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-3-13-26-32(29,30)23-12-7-9-20(16-23)24(28)27-18(2)19-8-6-11-22(15-19)31-17-21-10-4-5-14-25-21/h3-12,14-16,18,26H,1,13,17H2,2H3,(H,27,28).
What are the key properties of 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55958408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).