N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

C24H22FN3O5S — CID 22584616

IUPACN'-[2-(4-fluorophenyl)sulfonyl-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)c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O5S/c25-17-7-9-18(10-8-17)34(31,32)22(21-6-3-13-33-21)15-28-24(30)23(29)26-12-11-16-14-27-20-5-2-1-4-19(16)20/h1-10,13-14,22,27H,11-12,15H2,(H,26,29)(H,28,30)
InChIKeyUKXUJDLGIHDLOY-UHFFFAOYSA-N
MW483.52 g/mol
LogP2.89
Rot. Bonds8

About N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 22584616) has the molecular formula C24H22FN3O5S and a molecular weight of 483.52 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID22584616
Molecular FormulaC24H22FN3O5S
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC NameN'-[2-(4-fluorophenyl)sulfonyl-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)c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O5S/c25-17-7-9-18(10-8-17)34(31,32)22(21-6-3-13-33-21)15-28-24(30)23(29)26-12-11-16-14-27-20-5-2-1-4-19(16)20/h1-10,13-14,22,27H,11-12,15H2,(H,26,29)(H,28,30)
InChIKeyUKXUJDLGIHDLOY-UHFFFAOYSA-N
XLogP2.89
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.89
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-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-[2-(2-furyl)-1-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)vinyl]-4-methylbenzamide
CID 1632318
N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
CID 2156387
N-{2-[3-({2-[(2-furylmethyl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}-4-methoxybenzamide
CID 3243605
N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 3943571
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4145602
N-(2-(3-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-2-naphthamide
CID 4279066
N-{(Z)-2-Furan-2-yl-1-[2-(1H-indol-3-yl)-ethylcarbamoyl]-vinyl}-4-methyl-benzamide
CID 6509574
N-[1-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-2-(5-methyl-2-furyl)vinyl]benzamide
CID 5292104
US10626112, Example 113
CID 122685688
US10626112, Example 114
CID 122686129
2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
CID 16194334

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 22584616) is N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)sulfonyl-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)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is UKXUJDLGIHDLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O5S/c25-17-7-9-18(10-8-17)34(31,32)22(21-6-3-13-33-21)15-28-24(30)23(29)26-12-11-16-14-27-20-5-2-1-4-19(16)20/h1-10,13-14,22,27H,11-12,15H2,(H,26,29)(H,28,30).
What are the key properties of N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 483.52 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 22584616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).