3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide

C22H27FN2O4S — CID 46520248

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H27FN2O4S/c1-14-9-15(2)13-25(12-14)30(27,28)21-10-17(6-8-20(21)29-4)22(26)24-19-11-18(23)7-5-16(19)3/h5-8,10-11,14-15H,9,12-13H2,1-4H3,(H,24,26)
InChIKeyUSNAJYWYADTJCB-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.06
Rot. Bonds5

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide (PubChem CID 46520248) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide
PubChem CID46520248
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H27FN2O4S/c1-14-9-15(2)13-25(12-14)30(27,28)21-10-17(6-8-20(21)29-4)22(26)24-19-11-18(23)7-5-16(19)3/h5-8,10-11,14-15H,9,12-13H2,1-4H3,(H,24,26)
InChIKeyUSNAJYWYADTJCB-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961547
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961549
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961551
N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
CID 26086200
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 26086684
N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 42924422
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxybenzamide
CID 26468849
N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55450949
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 17459398
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
[2-(4-fluoroanilino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate
CID 43028377

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide (CID 46520248) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide?
The InChIKey is USNAJYWYADTJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-14-9-15(2)13-25(12-14)30(27,28)21-10-17(6-8-20(21)29-4)22(26)24-19-11-18(23)7-5-16(19)3/h5-8,10-11,14-15H,9,12-13H2,1-4H3,(H,24,26).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide has a molecular weight of 434.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 46520248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).