N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide

C18H20FNO3S2 — CID 110406562

IUPACN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
SMILESO=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)C1CCCC1
InChIInChI=1S/C18H20FNO3S2/c19-15-9-7-13(8-10-15)16(25(22,23)17-6-3-11-24-17)12-20-18(21)14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,12H2,(H,20,21)
InChIKeyGQMADJVJDDHBAM-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.71
Rot. Bonds6

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

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide (PubChem CID 110406562) has the molecular formula C18H20FNO3S2 and a molecular weight of 381.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
PubChem CID110406562
Molecular FormulaC18H20FNO3S2
Molecular Weight381.49 g/mol
Exact Mass381.09
IUPAC NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
SMILESO=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)C1CCCC1
InChIInChI=1S/C18H20FNO3S2/c19-15-9-7-13(8-10-15)16(25(22,23)17-6-3-11-24-17)12-20-18(21)14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,12H2,(H,20,21)
InChIKeyGQMADJVJDDHBAM-UHFFFAOYSA-N
XLogP3.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182921
N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9182679
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
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-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide
CID 110429146
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
CID 9182326
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
CID 9182290
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide (CID 110406562) is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide is O=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)C1CCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide?
The InChIKey is GQMADJVJDDHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S2/c19-15-9-7-13(8-10-15)16(25(22,23)17-6-3-11-24-17)12-20-18(21)14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,12H2,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide?
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide has a molecular weight of 381.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide is sourced from PubChem (CID 110406562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).