3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide

C21H27N3O5S — CID 24552788

IUPAC3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(OCCCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C21H27N3O5S/c1-16-7-4-9-18(13-16)29-12-6-11-22-20(25)15-23-21(26)17-8-5-10-19(14-17)30(27,28)24(2)3/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYVFXCGLKQZKJSG-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.56
Rot. Bonds10

About 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide (PubChem CID 24552788) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
PubChem CID24552788
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(OCCCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C21H27N3O5S/c1-16-7-4-9-18(13-16)29-12-6-11-22-20(25)15-23-21(26)17-8-5-10-19(14-17)30(27,28)24(2)3/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYVFXCGLKQZKJSG-UHFFFAOYSA-N
XLogP1.56
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 27861724
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
CID 30947686
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
N-[3-(3-methylphenoxy)propyl]-3-(methylsulfonylmethyl)benzamide
CID 27040363
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide (CID 24552788) is 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide is Cc1cccc(OCCCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The InChIKey is YVFXCGLKQZKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-16-7-4-9-18(13-16)29-12-6-11-22-20(25)15-23-21(26)17-8-5-10-19(14-17)30(27,28)24(2)3/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 1.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24552788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).