4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide

C20H18FNO4S — CID 7268088

IUPAC4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(F)cc2)c2ccco2)cc1
InChIInChI=1S/C20H18FNO4S/c1-14-4-10-17(11-5-14)27(24,25)19(18-3-2-12-26-18)13-22-20(23)15-6-8-16(21)9-7-15/h2-12,19H,13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyLCORTMLGRKJMKY-IBGZPJMESA-N
MW387.43 g/mol
LogP3.67
Rot. Bonds6

About 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide

4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide (PubChem CID 7268088) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
PubChem CID7268088
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(F)cc2)c2ccco2)cc1
InChIInChI=1S/C20H18FNO4S/c1-14-4-10-17(11-5-14)27(24,25)19(18-3-2-12-26-18)13-22-20(23)15-6-8-16(21)9-7-15/h2-12,19H,13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyLCORTMLGRKJMKY-IBGZPJMESA-N
XLogP3.67
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-nitrobenzamide
CID 7268115
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
CID 9162240
3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268254
3-chloro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268253
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9160400
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 22584481
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 27506094
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide (CID 7268088) is 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(F)cc2)c2ccco2)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide?
The InChIKey is LCORTMLGRKJMKY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-14-4-10-17(11-5-14)27(24,25)19(18-3-2-12-26-18)13-22-20(23)15-6-8-16(21)9-7-15/h2-12,19H,13H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide?
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide has a molecular weight of 387.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide is sourced from PubChem (CID 7268088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).