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

C20H18FNO3S2 — CID 9182326

IUPACN-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H18FNO3S2/c1-14-5-2-3-6-17(14)20(23)22-13-18(15-8-10-16(21)11-9-15)27(24,25)19-7-4-12-26-19/h2-12,18H,13H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyBUHLWQOMNGCTAW-SFHVURJKSA-N
MW403.50 g/mol
LogP4.14
Rot. Bonds6

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

N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide (PubChem CID 9182326) has the molecular formula C20H18FNO3S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
PubChem CID9182326
Molecular FormulaC20H18FNO3S2
Molecular Weight403.50 g/mol
Exact Mass403.07
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H18FNO3S2/c1-14-5-2-3-6-17(14)20(23)22-13-18(15-8-10-16(21)11-9-15)27(24,25)19-7-4-12-26-19/h2-12,18H,13H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyBUHLWQOMNGCTAW-SFHVURJKSA-N
XLogP4.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]furan-2-carboxamide
CID 9182290
N'-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide
CID 9182698
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
3,4-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181348
N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9182679
3-methyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181313

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide (CID 9182326) is N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide?
The InChIKey is BUHLWQOMNGCTAW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18FNO3S2/c1-14-5-2-3-6-17(14)20(23)22-13-18(15-8-10-16(21)11-9-15)27(24,25)19-7-4-12-26-19/h2-12,18H,13H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide?
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 4.14, 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]-2-methylbenzamide is sourced from PubChem (CID 9182326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).