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

C23H31N3O5S — CID 31686539

IUPAC3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCCOc2cccc(C)c2)c1
InChIInChI=1S/C23H31N3O5S/c1-4-26(5-2)32(29,30)21-12-7-10-19(16-21)23(28)25-17-22(27)24-13-8-14-31-20-11-6-9-18(3)15-20/h6-7,9-12,15-16H,4-5,8,13-14,17H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKLEHUABTGDEBLY-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.34
Rot. Bonds12

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

3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide (PubChem CID 31686539) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
PubChem CID31686539
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCCOc2cccc(C)c2)c1
InChIInChI=1S/C23H31N3O5S/c1-4-26(5-2)32(29,30)21-12-7-10-19(16-21)23(28)25-17-22(27)24-13-8-14-31-20-11-6-9-18(3)15-20/h6-7,9-12,15-16H,4-5,8,13-14,17H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKLEHUABTGDEBLY-UHFFFAOYSA-N
XLogP2.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.34
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-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552788
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
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
2-chloro-5-(diethylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
CID 9194405
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
CID 4794318
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
CID 30947686

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide (CID 31686539) is 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCCOc2cccc(C)c2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The InChIKey is KLEHUABTGDEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-4-26(5-2)32(29,30)21-12-7-10-19(16-21)23(28)25-17-22(27)24-13-8-14-31-20-11-6-9-18(3)15-20/h6-7,9-12,15-16H,4-5,8,13-14,17H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide has a molecular weight of 461.58 g/mol, XLogP of 2.34, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 31686539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).