3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

C20H18FNO3S2 — CID 7268528

IUPAC3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(F)c2)c2cccs2)cc1
InChIInChI=1S/C20H18FNO3S2/c1-14-7-9-17(10-8-14)27(24,25)19(18-6-3-11-26-18)13-22-20(23)15-4-2-5-16(21)12-15/h2-12,19H,13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyCVCAWKPICXJSFU-IBGZPJMESA-N
MW403.50 g/mol
LogP4.14
Rot. Bonds6

About 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (PubChem CID 7268528) has the molecular formula C20H18FNO3S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
PubChem CID7268528
Molecular FormulaC20H18FNO3S2
Molecular Weight403.50 g/mol
Exact Mass403.07
IUPAC Name3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(F)c2)c2cccs2)cc1
InChIInChI=1S/C20H18FNO3S2/c1-14-7-9-17(10-8-14)27(24,25)19(18-6-3-11-26-18)13-22-20(23)15-4-2-5-16(21)12-15/h2-12,19H,13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyCVCAWKPICXJSFU-IBGZPJMESA-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-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 22581594
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 92693452
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 43981238
N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 92693454
2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 27545836
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 40817881

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (CID 7268528) is 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(F)c2)c2cccs2)cc1.
What is the InChIKey of 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is CVCAWKPICXJSFU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18FNO3S2/c1-14-7-9-17(10-8-14)27(24,25)19(18-6-3-11-26-18)13-22-20(23)15-4-2-5-16(21)12-15/h2-12,19H,13H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide 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 3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 7268528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).