N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide

C22H21FN2O4S — CID 38997861

IUPACN-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-15-12-19(9-10-20(15)23)30(27,28)21(17-4-3-11-24-13-17)14-25-22(26)16-5-7-18(29-2)8-6-16/h3-13,21H,14H2,1-2H3,(H,25,26)/t21-/m0/s1
InChIKeyGTKZROPNFOFKLX-NRFANRHFSA-N
MW428.49 g/mol
LogP3.48
Rot. Bonds7

About N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide

N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide (PubChem CID 38997861) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
PubChem CID38997861
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-15-12-19(9-10-20(15)23)30(27,28)21(17-4-3-11-24-13-17)14-25-22(26)16-5-7-18(29-2)8-6-16/h3-13,21H,14H2,1-2H3,(H,25,26)/t21-/m0/s1
InChIKeyGTKZROPNFOFKLX-NRFANRHFSA-N
XLogP3.48
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide
CID 21007633
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
3-bromo-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007624
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 42272378
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide?
The IUPAC name of N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide (CID 38997861) is N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide?
The InChIKey is GTKZROPNFOFKLX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-15-12-19(9-10-20(15)23)30(27,28)21(17-4-3-11-24-13-17)14-25-22(26)16-5-7-18(29-2)8-6-16/h3-13,21H,14H2,1-2H3,(H,25,26)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide?
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide has a molecular weight of 428.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide is sourced from PubChem (CID 38997861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).