N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide

C21H25N3O4S — CID 50823425

IUPACN-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-16-7-9-19(10-8-16)29(27,28)23-18-11-13-24(14-12-18)20(25)15-22-21(26)17-5-3-2-4-6-17/h2-10,18,23H,11-15H2,1H3,(H,22,26)
InChIKeyWBKXHLPFXFGXJZ-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.69
Rot. Bonds6

About N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 50823425) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID50823425
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-16-7-9-19(10-8-16)29(27,28)23-18-11-13-24(14-12-18)20(25)15-22-21(26)17-5-3-2-4-6-17/h2-10,18,23H,11-15H2,1H3,(H,22,26)
InChIKeyWBKXHLPFXFGXJZ-UHFFFAOYSA-N
XLogP1.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 94091187

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide (CID 50823425) is N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is WBKXHLPFXFGXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16-7-9-19(10-8-16)29(27,28)23-18-11-13-24(14-12-18)20(25)15-22-21(26)17-5-3-2-4-6-17/h2-10,18,23H,11-15H2,1H3,(H,22,26).
What are the key properties of N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 50823425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).