N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide

C20H30N2O4S — CID 108560437

IUPACN-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H30N2O4S/c1-3-4-15-27(25,26)22-13-11-18(12-14-22)21-20(24)10-9-19(23)17-7-5-16(2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyXVBCMHYHIIJIDZ-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.67
Rot. Bonds9

About N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide

N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 108560437) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID108560437
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H30N2O4S/c1-3-4-15-27(25,26)22-13-11-18(12-14-22)21-20(24)10-9-19(23)17-7-5-16(2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyXVBCMHYHIIJIDZ-UHFFFAOYSA-N
XLogP2.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153
N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 108561311
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide (CID 108560437) is N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide is CCCCS(=O)(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is XVBCMHYHIIJIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-3-4-15-27(25,26)22-13-11-18(12-14-22)21-20(24)10-9-19(23)17-7-5-16(2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3,(H,21,24).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide?
N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 394.54 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108560437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).