N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide

C25H25N3O4S — CID 164610804

IUPACN-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O4S/c1-19(29)27-21-12-10-20(11-13-21)18-26-15-17-32-25-9-5-8-24-23(25)14-16-28(24)33(30,31)22-6-3-2-4-7-22/h2-14,16,26H,15,17-18H2,1H3,(H,27,29)
InChIKeyAEFKQXHMADIPHK-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.01
Rot. Bonds9

About N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide

N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide (PubChem CID 164610804) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide
PubChem CID164610804
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O4S/c1-19(29)27-21-12-10-20(11-13-21)18-26-15-17-32-25-9-5-8-24-23(25)14-16-28(24)33(30,31)22-6-3-2-4-7-22/h2-14,16,26H,15,17-18H2,1H3,(H,27,29)
InChIKeyAEFKQXHMADIPHK-UHFFFAOYSA-N
XLogP4.01
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide (CID 164610804) is N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide?
The InChIKey is AEFKQXHMADIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-19(29)27-21-12-10-20(11-13-21)18-26-15-17-32-25-9-5-8-24-23(25)14-16-28(24)33(30,31)22-6-3-2-4-7-22/h2-14,16,26H,15,17-18H2,1H3,(H,27,29).
What are the key properties of N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide?
N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 164610804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).