N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide

C19H17FN2O5S2 — CID 40778166

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17FN2O5S2/c20-14-7-5-13(6-8-14)11-21-18(23)19(24)22-12-16(15-3-1-9-27-15)29(25,26)17-4-2-10-28-17/h1-10,16H,11-12H2,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyGTAMVRQGFBZNFS-MRXNPFEDSA-N
MW436.49 g/mol
LogP2.43
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide (PubChem CID 40778166) has the molecular formula C19H17FN2O5S2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
PubChem CID40778166
Molecular FormulaC19H17FN2O5S2
Molecular Weight436.49 g/mol
Exact Mass436.06
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17FN2O5S2/c20-14-7-5-13(6-8-14)11-21-18(23)19(24)22-12-16(15-3-1-9-27-15)29(25,26)17-4-2-10-28-17/h1-10,16H,11-12H2,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyGTAMVRQGFBZNFS-MRXNPFEDSA-N
XLogP2.43
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.43
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-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27569543
N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40775052
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 27555108
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(3-phenylpropyl)oxamide
CID 27558122
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
CID 9182290
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303
N'-cyclohexyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584643
N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555177

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide (CID 40778166) is N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The InChIKey is GTAMVRQGFBZNFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17FN2O5S2/c20-14-7-5-13(6-8-14)11-21-18(23)19(24)22-12-16(15-3-1-9-27-15)29(25,26)17-4-2-10-28-17/h1-10,16H,11-12H2,(H,21,23)(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide has a molecular weight of 436.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide is sourced from PubChem (CID 40778166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).