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

C24H24N4O4S — CID 55958532

IUPAC4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C24H24N4O4S/c1-18(20-6-4-8-22(16-20)32-17-21-7-2-3-14-26-21)28-24(29)19-9-11-23(12-10-19)33(30,31)27-15-5-13-25/h2-4,6-12,14,16,18,27H,5,15,17H2,1H3,(H,28,29)
InChIKeyXOUVTCSSPKQDIY-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.34
Rot. Bonds10

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

4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55958532) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55958532
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C24H24N4O4S/c1-18(20-6-4-8-22(16-20)32-17-21-7-2-3-14-26-21)28-24(29)19-9-11-23(12-10-19)33(30,31)27-15-5-13-25/h2-4,6-12,14,16,18,27H,5,15,17H2,1H3,(H,28,29)
InChIKeyXOUVTCSSPKQDIY-UHFFFAOYSA-N
XLogP3.34
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958408
3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958660
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
4-(2-cyanoethylsulfamoyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 78804741
4-methoxy-3-nitro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55902885
N-[[4-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55902386
3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55901736
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
CID 55958530
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901608

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (CID 55958532) is 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is CC(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is XOUVTCSSPKQDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-18(20-6-4-8-22(16-20)32-17-21-7-2-3-14-26-21)28-24(29)19-9-11-23(12-10-19)33(30,31)27-15-5-13-25/h2-4,6-12,14,16,18,27H,5,15,17H2,1H3,(H,28,29).
What are the key properties of 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 464.55 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55958532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).