N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

C24H23N3O5S — CID 22584453

IUPACN'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23N3O5S/c28-23(25-13-12-17-15-26-20-10-5-4-9-19(17)20)24(29)27-16-22(21-11-6-14-32-21)33(30,31)18-7-2-1-3-8-18/h1-11,14-15,22,26H,12-13,16H2,(H,25,28)(H,27,29)
InChIKeyDUYJEWGBDLOVBD-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.75
Rot. Bonds8

About N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 22584453) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID22584453
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23N3O5S/c28-23(25-13-12-17-15-26-20-10-5-4-9-19(17)20)24(29)27-16-22(21-11-6-14-32-21)33(30,31)18-7-2-1-3-8-18/h1-11,14-15,22,26H,12-13,16H2,(H,25,28)(H,27,29)
InChIKeyDUYJEWGBDLOVBD-UHFFFAOYSA-N
XLogP2.75
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 22584662
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 12006004
N'-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 40785289
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1H-indol-3-yl)propanamide
CID 110889323
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 41140150
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 22584453) is N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is DUYJEWGBDLOVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c28-23(25-13-12-17-15-26-20-10-5-4-9-19(17)20)24(29)27-16-22(21-11-6-14-32-21)33(30,31)18-7-2-1-3-8-18/h1-11,14-15,22,26H,12-13,16H2,(H,25,28)(H,27,29).
What are the key properties of N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 465.53 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 22584453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).