5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide

C20H22FN3O4S — CID 34100373

IUPAC5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1C(N)=O
InChIInChI=1S/C20H22FN3O4S/c1-13-2-7-17(12-18(13)19(22)25)29(27,28)24-10-8-16(9-11-24)23-20(26)14-3-5-15(21)6-4-14/h2-7,12,16H,8-11H2,1H3,(H2,22,25)(H,23,26)
InChIKeyGWKXUVYDUJMFFE-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.82
Rot. Bonds5

About 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide

5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide (PubChem CID 34100373) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide.

Molecular Properties

Compound Name5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
PubChem CID34100373
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1C(N)=O
InChIInChI=1S/C20H22FN3O4S/c1-13-2-7-17(12-18(13)19(22)25)29(27,28)24-10-8-16(9-11-24)23-20(26)14-3-5-15(21)6-4-14/h2-7,12,16H,8-11H2,1H3,(H2,22,25)(H,23,26)
InChIKeyGWKXUVYDUJMFFE-UHFFFAOYSA-N
XLogP1.82
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 35400886
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 119987776
1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 131963351
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562803
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide?
The IUPAC name of 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide (CID 34100373) is 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide.
What is the SMILES notation for 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide?
The canonical SMILES for 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1C(N)=O.
What is the InChIKey of 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide?
The InChIKey is GWKXUVYDUJMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-13-2-7-17(12-18(13)19(22)25)29(27,28)24-10-8-16(9-11-24)23-20(26)14-3-5-15(21)6-4-14/h2-7,12,16H,8-11H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide?
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide has a molecular weight of 419.48 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide is sourced from PubChem (CID 34100373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).