3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

C25H27N3O4S — CID 46436913

IUPAC3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-24(29)27-21-15-13-19(14-16-21)18(2)26-25(30)20-9-8-12-23(17-20)33(31,32)28(3)22-10-6-5-7-11-22/h5-18H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyKWDDKGJEHQGKHL-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.35
Rot. Bonds8

About 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (PubChem CID 46436913) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
PubChem CID46436913
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-24(29)27-21-15-13-19(14-16-21)18(2)26-25(30)20-9-8-12-23(17-20)33(31,32)28(3)22-10-6-5-7-11-22/h5-18H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyKWDDKGJEHQGKHL-UHFFFAOYSA-N
XLogP4.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657574
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132666889
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[methyl(phenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 18532497
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
N-[1-(4-chlorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 112761400
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (CID 46436913) is 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The InChIKey is KWDDKGJEHQGKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-24(29)27-21-15-13-19(14-16-21)18(2)26-25(30)20-9-8-12-23(17-20)33(31,32)28(3)22-10-6-5-7-11-22/h5-18H,4H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 46436913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).