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

C17H14FNO4S2 — CID 9182290

IUPACN-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccco1
InChIInChI=1S/C17H14FNO4S2/c18-13-7-5-12(6-8-13)15(25(21,22)16-4-2-10-24-16)11-19-17(20)14-3-1-9-23-14/h1-10,15H,11H2,(H,19,20)/t15-/m1/s1
InChIKeyFXJKCSZBIDTYOO-OAHLLOKOSA-N
MW379.43 g/mol
LogP3.43
Rot. Bonds6

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

N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide (PubChem CID 9182290) has the molecular formula C17H14FNO4S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
PubChem CID9182290
Molecular FormulaC17H14FNO4S2
Molecular Weight379.43 g/mol
Exact Mass379.03
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccco1
InChIInChI=1S/C17H14FNO4S2/c18-13-7-5-12(6-8-13)15(25(21,22)16-4-2-10-24-16)11-19-17(20)14-3-1-9-23-14/h1-10,15H,11H2,(H,19,20)/t15-/m1/s1
InChIKeyFXJKCSZBIDTYOO-OAHLLOKOSA-N
XLogP3.43
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
CID 9183705
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
CID 110315060
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
CID 9182326
N'-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide
CID 9182698
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 40778166
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide
CID 110429146
N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9182679
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide (CID 9182290) is N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide is O=C(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide?
The InChIKey is FXJKCSZBIDTYOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14FNO4S2/c18-13-7-5-12(6-8-13)15(25(21,22)16-4-2-10-24-16)11-19-17(20)14-3-1-9-23-14/h1-10,15H,11H2,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide?
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide is sourced from PubChem (CID 9182290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).