N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide

C21H19FN2O5S — CID 40775088

IUPACN'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1F)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19FN2O5S/c22-17-10-5-4-7-15(17)13-23-20(25)21(26)24-14-19(18-11-6-12-29-18)30(27,28)16-8-2-1-3-9-16/h1-12,19H,13-14H2,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyJQUVTOQDBOBOPA-LJQANCHMSA-N
MW430.46 g/mol
LogP2.37
Rot. Bonds7

About N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide

N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide (PubChem CID 40775088) has the molecular formula C21H19FN2O5S and a molecular weight of 430.46 g/mol. Its IUPAC name is N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
PubChem CID40775088
Molecular FormulaC21H19FN2O5S
Molecular Weight430.46 g/mol
Exact Mass430.10
IUPAC NameN'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1F)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19FN2O5S/c22-17-10-5-4-7-15(17)13-23-20(25)21(26)24-14-19(18-11-6-12-29-18)30(27,28)16-8-2-1-3-9-16/h1-12,19H,13-14H2,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyJQUVTOQDBOBOPA-LJQANCHMSA-N
XLogP2.37
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-2-fluorobenzamide
CID 22584447
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N-[(2-chlorophenyl)methyl]-N'-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 22584517
N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 27451022
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 40773624
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555075
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 27555108
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 40774894

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide (CID 40775088) is N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide is O=C(NCc1ccccc1F)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is JQUVTOQDBOBOPA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19FN2O5S/c22-17-10-5-4-7-15(17)13-23-20(25)21(26)24-14-19(18-11-6-12-29-18)30(27,28)16-8-2-1-3-9-16/h1-12,19H,13-14H2,(H,23,25)(H,24,26)/t19-/m1/s1.
What are the key properties of N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide?
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 430.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 40775088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).