N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide

C21H20FNO4S — CID 9162240

IUPACN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2ccco2)c1
InChIInChI=1S/C21H20FNO4S/c1-14-5-6-15(2)19(12-14)28(25,26)20(18-4-3-11-27-18)13-23-21(24)16-7-9-17(22)10-8-16/h3-12,20H,13H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyZOKCMTIUTIADPO-HXUWFJFHSA-N
MW401.46 g/mol
LogP3.98
Rot. Bonds6

About N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide (PubChem CID 9162240) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
PubChem CID9162240
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2ccco2)c1
InChIInChI=1S/C21H20FNO4S/c1-14-5-6-15(2)19(12-14)28(25,26)20(18-4-3-11-27-18)13-23-21(24)16-7-9-17(22)10-8-16/h3-12,20H,13H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyZOKCMTIUTIADPO-HXUWFJFHSA-N
XLogP3.98
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]acetamide
CID 9162152
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162221
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162219
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 9162197
N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
CID 9162312
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9162182
N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 9162337
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 9162349
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 26792820

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide (CID 9162240) is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide is Cc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2ccco2)c1.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide?
The InChIKey is ZOKCMTIUTIADPO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20FNO4S/c1-14-5-6-15(2)19(12-14)28(25,26)20(18-4-3-11-27-18)13-23-21(24)16-7-9-17(22)10-8-16/h3-12,20H,13H2,1-2H3,(H,23,24)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide?
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide has a molecular weight of 401.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 9162240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).