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

C19H16FNO3S2 — CID 44649417

IUPACN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESO=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H16FNO3S2/c20-16-10-8-14(9-11-16)17(26(23,24)18-7-4-12-25-18)13-21-19(22)15-5-2-1-3-6-15/h1-12,17H,13H2,(H,21,22)
InChIKeyIXQJPGKXARDGDC-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.83
Rot. Bonds6

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

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide (PubChem CID 44649417) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
PubChem CID44649417
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESO=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H16FNO3S2/c20-16-10-8-14(9-11-16)17(26(23,24)18-7-4-12-25-18)13-21-19(22)15-5-2-1-3-6-15/h1-12,17H,13H2,(H,21,22)
InChIKeyIXQJPGKXARDGDC-UHFFFAOYSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
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
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
N'-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide
CID 9182698
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
3-methyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181313
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide (CID 44649417) is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide is O=C(NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The InChIKey is IXQJPGKXARDGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c20-16-10-8-14(9-11-16)17(26(23,24)18-7-4-12-25-18)13-21-19(22)15-5-2-1-3-6-15/h1-12,17H,13H2,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide?
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide has a molecular weight of 389.47 g/mol, XLogP of 3.83, 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]benzamide is sourced from PubChem (CID 44649417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).