N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

C23H23FN2O5S2 — CID 40775017

IUPACN'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O5S2/c1-31-18-8-4-16(5-9-18)12-13-25-22(27)23(28)26-15-21(20-3-2-14-32-20)33(29,30)19-10-6-17(24)7-11-19/h2-11,14,21H,12-13,15H2,1H3,(H,25,27)(H,26,28)/t21-/m1/s1
InChIKeyXKGCJNNEFSATTK-OAQYLSRUSA-N
MW490.58 g/mol
LogP2.89
Rot. Bonds9

About N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 40775017) has the molecular formula C23H23FN2O5S2 and a molecular weight of 490.58 g/mol. Its IUPAC name is N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID40775017
Molecular FormulaC23H23FN2O5S2
Molecular Weight490.58 g/mol
Exact Mass490.10
IUPAC NameN'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O5S2/c1-31-18-8-4-16(5-9-18)12-13-25-22(27)23(28)26-15-21(20-3-2-14-32-20)33(29,30)19-10-6-17(24)7-11-19/h2-11,14,21H,12-13,15H2,1H3,(H,25,27)(H,26,28)/t21-/m1/s1
InChIKeyXKGCJNNEFSATTK-OAQYLSRUSA-N
XLogP2.89
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 52.89
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'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 40775014
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-phenylethyl)oxamide
CID 27558175
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40774997
ethyl 2-[[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 110315195
ethyl 2-[[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 7279848
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 41184419
2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 26792473
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-methylphenoxy)acetamide
CID 20962834
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 26792423
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 40775017) is N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is XKGCJNNEFSATTK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23FN2O5S2/c1-31-18-8-4-16(5-9-18)12-13-25-22(27)23(28)26-15-21(20-3-2-14-32-20)33(29,30)19-10-6-17(24)7-11-19/h2-11,14,21H,12-13,15H2,1H3,(H,25,27)(H,26,28)/t21-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 490.58 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 40775017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).