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

C23H23FN2O5S2 — CID 40775012

IUPACN'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O5S2/c1-31-19-6-3-2-5-16(19)12-13-25-22(27)23(28)26-15-21(20-7-4-14-32-20)33(29,30)18-10-8-17(24)9-11-18/h2-11,14,21H,12-13,15H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyFCNYBKCJTYSXPH-NRFANRHFSA-N
MW490.58 g/mol
LogP2.89
Rot. Bonds9

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

N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide (PubChem CID 40775012) has the molecular formula C23H23FN2O5S2 and a molecular weight of 490.58 g/mol. Its IUPAC name is N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
PubChem CID40775012
Molecular FormulaC23H23FN2O5S2
Molecular Weight490.58 g/mol
Exact Mass490.10
IUPAC NameN'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O5S2/c1-31-19-6-3-2-5-16(19)12-13-25-22(27)23(28)26-15-21(20-7-4-14-32-20)33(29,30)18-10-8-17(24)9-11-18/h2-11,14,21H,12-13,15H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyFCNYBKCJTYSXPH-NRFANRHFSA-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'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775017
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-phenylethyl)oxamide
CID 27558175
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40774886
N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 40775014
ethyl 2-[[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 7279848
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 41184417
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 41184419
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 41193304
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide (CID 40775012) is N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide is COc1ccccc1CCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The InChIKey is FCNYBKCJTYSXPH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23FN2O5S2/c1-31-19-6-3-2-5-16(19)12-13-25-22(27)23(28)26-15-21(20-7-4-14-32-20)33(29,30)18-10-8-17(24)9-11-18/h2-11,14,21H,12-13,15H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-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'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 40775012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).