N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide

C17H19FN2O4S2 — CID 110429146

IUPACN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C17H19FN2O4S2/c18-14-5-3-13(4-6-14)15(26(22,23)16-2-1-11-25-16)12-19-17(21)20-7-9-24-10-8-20/h1-6,11,15H,7-10,12H2,(H,19,21)
InChIKeySWZOFJCAXOKEIZ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide (PubChem CID 110429146) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide
PubChem CID110429146
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C17H19FN2O4S2/c18-14-5-3-13(4-6-14)15(26(22,23)16-2-1-11-25-16)12-19-17(21)20-7-9-24-10-8-20/h1-6,11,15H,7-10,12H2,(H,19,21)
InChIKeySWZOFJCAXOKEIZ-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562
N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9182679
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
CID 9182290
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
N'-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide
CID 9182698
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
CID 9182326
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide (CID 110429146) is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide is O=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide?
The InChIKey is SWZOFJCAXOKEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-14-5-3-13(4-6-14)15(26(22,23)16-2-1-11-25-16)12-19-17(21)20-7-9-24-10-8-20/h1-6,11,15H,7-10,12H2,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide?
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 110429146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).