3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide

C21H26N2O5S — CID 30947686

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCOc2cccc(C)c2)c1
InChIInChI=1S/C21H26N2O5S/c1-16-6-3-8-19(14-16)28-13-5-11-22-21(25)10-12-23-29(26,27)20-9-4-7-18(15-20)17(2)24/h3-4,6-9,14-15,23H,5,10-13H2,1-2H3,(H,22,25)
InChIKeyLDLCJMPZVFORLQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.45
Rot. Bonds11

About 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide (PubChem CID 30947686) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
PubChem CID30947686
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCOc2cccc(C)c2)c1
InChIInChI=1S/C21H26N2O5S/c1-16-6-3-8-19(14-16)28-13-5-11-22-21(25)10-12-23-29(26,27)20-9-4-7-18(15-20)17(2)24/h3-4,6-9,14-15,23H,5,10-13H2,1-2H3,(H,22,25)
InChIKeyLDLCJMPZVFORLQ-UHFFFAOYSA-N
XLogP2.45
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.45
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

methyl 3-[3-(3-methylphenoxy)propylsulfamoyl]benzoate
CID 31769281
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
CID 71944756
3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552788
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide
CID 55823205
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
CID 46414513
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide
CID 27039880

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide (CID 30947686) is 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCOc2cccc(C)c2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide?
The InChIKey is LDLCJMPZVFORLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-16-6-3-8-19(14-16)28-13-5-11-22-21(25)10-12-23-29(26,27)20-9-4-7-18(15-20)17(2)24/h3-4,6-9,14-15,23H,5,10-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide has a molecular weight of 418.52 g/mol, XLogP of 2.45, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide is sourced from PubChem (CID 30947686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).