N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide

C16H17FN2O5S2 — CID 22584074

IUPACN'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O5S2/c17-11-3-5-12(6-4-11)26(23,24)14(13-2-1-9-25-13)10-19-16(22)15(21)18-7-8-20/h1-6,9,14,20H,7-8,10H2,(H,18,21)(H,19,22)
InChIKeyGNKFCIYUVKRFBH-UHFFFAOYSA-N
MW400.45 g/mol
LogP0.63
Rot. Bonds7

About N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide

N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide (PubChem CID 22584074) has the molecular formula C16H17FN2O5S2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
PubChem CID22584074
Molecular FormulaC16H17FN2O5S2
Molecular Weight400.45 g/mol
Exact Mass400.06
IUPAC NameN'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O5S2/c17-11-3-5-12(6-4-11)26(23,24)14(13-2-1-9-25-13)10-19-16(22)15(21)18-7-8-20/h1-6,9,14,20H,7-8,10H2,(H,18,21)(H,19,22)
InChIKeyGNKFCIYUVKRFBH-UHFFFAOYSA-N
XLogP0.63
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N1-(4-fluorophenethyl)-N2-(2-(phenylsulfonyl)-2-(thiophen-2-yl)ethyl)oxalamide
CID 16034790
Ethyl 2-((2-((4-fluorophenyl)sulfonyl)-2-(thiophen-2-yl)ethyl)amino)-2-oxoacetate
CID 18574196
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18562499
N-Tert-butyl-2-[2-(4-fluorobenzenesulfonamido)-N-(thiophen-2-ylmethyl)acetamido]acetamide
CID 3207050
N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]acetamide
CID 22581612
N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]-2-methylpropanamide
CID 22581613
2-(4-Fluorobenzenesulfonamido)-N-{[(2-methylbutan-2-YL)carbamoyl]methyl}-N-(thiophen-2-ylmethyl)acetamide
CID 3207053
2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4785336
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8320592
N'-{[3-(4-fluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}-N-[(thiophen-2-yl)methyl]ethanediamide
CID 12005851
N-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]ethanediamide
CID 16032133
N1-(3-(dimethylamino)propyl)-N2-(2-((4-fluorophenyl)sulfonyl)-2-(thiophen-2-yl)ethyl)oxalamide
CID 18574191

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide (CID 22584074) is N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide is O=C(NCCO)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide?
The InChIKey is GNKFCIYUVKRFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S2/c17-11-3-5-12(6-4-11)26(23,24)14(13-2-1-9-25-13)10-19-16(22)15(21)18-7-8-20/h1-6,9,14,20H,7-8,10H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide?
N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide has a molecular weight of 400.45 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 22584074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).