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

C22H21N3O5S2 — CID 22584662

IUPACN'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H21N3O5S2/c26-21(23-10-9-15-13-24-17-6-2-1-5-16(15)17)22(27)25-14-19(18-7-3-11-30-18)32(28,29)20-8-4-12-31-20/h1-8,11-13,19,24H,9-10,14H2,(H,23,26)(H,25,27)
InChIKeyPZDRGOVQJJKEHP-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.81
Rot. Bonds8

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

N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 22584662) has the molecular formula C22H21N3O5S2 and a molecular weight of 471.56 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID22584662
Molecular FormulaC22H21N3O5S2
Molecular Weight471.56 g/mol
Exact Mass471.09
IUPAC NameN'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H21N3O5S2/c26-21(23-10-9-15-13-24-17-6-2-1-5-16(15)17)22(27)25-14-19(18-7-3-11-30-18)32(28,29)20-8-4-12-31-20/h1-8,11-13,19,24H,9-10,14H2,(H,23,26)(H,25,27)
InChIKeyPZDRGOVQJJKEHP-UHFFFAOYSA-N
XLogP2.81
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 22584453
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 12006004
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303
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-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 110298536
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28820719
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1H-indol-3-yl)propanamide
CID 110889323
N'-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 28820930
N-[2-(1H-indol-3-yl)ethyl]-N'-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 20866396
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 22584662) is N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)S(=O)(=O)c1cccs1.
What is the InChIKey of N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is PZDRGOVQJJKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S2/c26-21(23-10-9-15-13-24-17-6-2-1-5-16(15)17)22(27)25-14-19(18-7-3-11-30-18)32(28,29)20-8-4-12-31-20/h1-8,11-13,19,24H,9-10,14H2,(H,23,26)(H,25,27).
What are the key properties of N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 471.56 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 22584662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).