N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C24H23N3O5S — CID 55960868

IUPACN-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1
InChIInChI=1S/C24H23N3O5S/c1-31-23-13-3-2-12-22(23)27-33(29,30)21-11-6-8-18(16-21)24(28)26-19-9-7-10-20(17-19)32-15-5-4-14-25/h2-3,6-13,16-17,27H,4-5,15H2,1H3,(H,26,28)
InChIKeyGLSIAWRHQJMITK-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.43
Rot. Bonds10

About N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 55960868) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID55960868
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1
InChIInChI=1S/C24H23N3O5S/c1-31-23-13-3-2-12-22(23)27-33(29,30)21-11-6-8-18(16-21)24(28)26-19-9-7-10-20(17-19)32-15-5-4-14-25/h2-3,6-13,16-17,27H,4-5,15H2,1H3,(H,26,28)
InChIKeyGLSIAWRHQJMITK-UHFFFAOYSA-N
XLogP4.43
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.43
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

N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 167976299
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30697316
methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate
CID 46405073
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 39977662

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 55960868) is N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1.
What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is GLSIAWRHQJMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-31-23-13-3-2-12-22(23)27-33(29,30)21-11-6-8-18(16-21)24(28)26-19-9-7-10-20(17-19)32-15-5-4-14-25/h2-3,6-13,16-17,27H,4-5,15H2,1H3,(H,26,28).
What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 465.53 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55960868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).