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

C21H20FNO3S2 — CID 20962880

IUPACN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C21H20FNO3S2/c1-14-5-7-16(8-6-14)21(24)23-13-20(19-4-3-11-27-19)28(25,26)17-9-10-18(22)15(2)12-17/h3-12,20H,13H2,1-2H3,(H,23,24)
InChIKeyULFUNGJPRIBYTG-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.45
Rot. Bonds6

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

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide (PubChem CID 20962880) has the molecular formula C21H20FNO3S2 and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
PubChem CID20962880
Molecular FormulaC21H20FNO3S2
Molecular Weight417.53 g/mol
Exact Mass417.09
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C21H20FNO3S2/c1-14-5-7-16(8-6-14)21(24)23-13-20(19-4-3-11-27-19)28(25,26)17-9-10-18(22)15(2)12-17/h3-12,20H,13H2,1-2H3,(H,23,24)
InChIKeyULFUNGJPRIBYTG-UHFFFAOYSA-N
XLogP4.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 92693338
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 20962840
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 40817881
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 20962872
3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268528
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-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 92693454
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide (CID 20962880) is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide?
The InChIKey is ULFUNGJPRIBYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S2/c1-14-5-7-16(8-6-14)21(24)23-13-20(19-4-3-11-27-19)28(25,26)17-9-10-18(22)15(2)12-17/h3-12,20H,13H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide?
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 20962880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).