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

C24H25N3O4S — CID 55657574

IUPAC3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O4S/c1-3-23(28)26-20-14-12-18(13-15-20)17(2)25-24(29)19-8-7-9-21(16-19)27-32(30,31)22-10-5-4-6-11-22/h4-17,27H,3H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySFPUZFDXDGDSNI-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.33
Rot. Bonds8

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

3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (PubChem CID 55657574) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
PubChem CID55657574
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O4S/c1-3-23(28)26-20-14-12-18(13-15-20)17(2)25-24(29)19-8-7-9-21(16-19)27-32(30,31)22-10-5-4-6-11-22/h4-17,27H,3H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySFPUZFDXDGDSNI-UHFFFAOYSA-N
XLogP4.33
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436913
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (CID 55657574) is 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The InChIKey is SFPUZFDXDGDSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-3-23(28)26-20-14-12-18(13-15-20)17(2)25-24(29)19-8-7-9-21(16-19)27-32(30,31)22-10-5-4-6-11-22/h4-17,27H,3H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 55657574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).