3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide

C19H25N3O5S2 — CID 17225945

IUPAC3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H25N3O5S2/c1-3-22(4-2)29(26,27)18-12-10-16(11-13-18)21-19(23)14-15-20-28(24,25)17-8-6-5-7-9-17/h5-13,20H,3-4,14-15H2,1-2H3,(H,21,23)
InChIKeyQXBFRDOWOXSQDC-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.02
Rot. Bonds10

About 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide

3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 17225945) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID17225945
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H25N3O5S2/c1-3-22(4-2)29(26,27)18-12-10-16(11-13-18)21-19(23)14-15-20-28(24,25)17-8-6-5-7-9-17/h5-13,20H,3-4,14-15H2,1-2H3,(H,21,23)
InChIKeyQXBFRDOWOXSQDC-UHFFFAOYSA-N
XLogP2.02
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
N-[4-(diethylsulfamoyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide
CID 3417972
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
S-[4-[3-(benzenesulfonamido)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56544803
N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 18075261
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192752
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide (CID 17225945) is 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is QXBFRDOWOXSQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-3-22(4-2)29(26,27)18-12-10-16(11-13-18)21-19(23)14-15-20-28(24,25)17-8-6-5-7-9-17/h5-13,20H,3-4,14-15H2,1-2H3,(H,21,23).
What are the key properties of 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 439.56 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 17225945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).