N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide

C16H16FNO3S2 — CID 9182162

IUPACN-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)C1CC1
InChIInChI=1S/C16H16FNO3S2/c17-13-7-5-11(6-8-13)14(10-18-16(19)12-3-4-12)23(20,21)15-2-1-9-22-15/h1-2,5-9,12,14H,3-4,10H2,(H,18,19)/t14-/m0/s1
InChIKeyZDMMOMZQKJLZAO-AWEZNQCLSA-N
MW353.44 g/mol
LogP2.93
Rot. Bonds6

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

N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide (PubChem CID 9182162) has the molecular formula C16H16FNO3S2 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
PubChem CID9182162
Molecular FormulaC16H16FNO3S2
Molecular Weight353.44 g/mol
Exact Mass353.06
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)C1CC1
InChIInChI=1S/C16H16FNO3S2/c17-13-7-5-11(6-8-13)14(10-18-16(19)12-3-4-12)23(20,21)15-2-1-9-22-15/h1-2,5-9,12,14H,3-4,10H2,(H,18,19)/t14-/m0/s1
InChIKeyZDMMOMZQKJLZAO-AWEZNQCLSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562
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-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356
N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9181764

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide (CID 9182162) is N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide is O=C(NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)C1CC1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide?
The InChIKey is ZDMMOMZQKJLZAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16FNO3S2/c17-13-7-5-11(6-8-13)14(10-18-16(19)12-3-4-12)23(20,21)15-2-1-9-22-15/h1-2,5-9,12,14H,3-4,10H2,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide?
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide has a molecular weight of 353.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 9182162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).