N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

C23H24N2O6S — CID 40775081

IUPACN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O6S/c1-30-18-11-9-17(10-12-18)13-14-24-22(26)23(27)25-16-21(20-8-5-15-31-20)32(28,29)19-6-3-2-4-7-19/h2-12,15,21H,13-14,16H2,1H3,(H,24,26)(H,25,27)/t21-/m0/s1
InChIKeyQWXSAQQSXLTSRT-NRFANRHFSA-N
MW456.52 g/mol
LogP2.28
Rot. Bonds9

About N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 40775081) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID40775081
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC NameN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O6S/c1-30-18-11-9-17(10-12-18)13-14-24-22(26)23(27)25-16-21(20-8-5-15-31-20)32(28,29)19-6-3-2-4-7-19/h2-12,15,21H,13-14,16H2,1H3,(H,24,26)(H,25,27)/t21-/m0/s1
InChIKeyQWXSAQQSXLTSRT-NRFANRHFSA-N
XLogP2.28
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40774997
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 40773624
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 27564475
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234244
5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide
CID 26792715
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102
2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
CID 20962895
N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide
CID 26792762
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234512

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 40775081) is N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is QWXSAQQSXLTSRT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-30-18-11-9-17(10-12-18)13-14-24-22(26)23(27)25-16-21(20-8-5-15-31-20)32(28,29)19-6-3-2-4-7-19/h2-12,15,21H,13-14,16H2,1H3,(H,24,26)(H,25,27)/t21-/m0/s1.
What are the key properties of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 456.52 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 40775081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).