2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide

C20H25N3O3S — CID 51335811

IUPAC2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NS(=O)(=O)Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C20H25N3O3S/c24-20(21-18-9-5-2-6-10-18)15-23-13-11-19(12-14-23)22-27(25,26)16-17-7-3-1-4-8-17/h1-10,19,22H,11-16H2,(H,21,24)
InChIKeySIMYOTNXYCMERK-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.21
Rot. Bonds7

About 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide

2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide (PubChem CID 51335811) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
PubChem CID51335811
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC Name2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NS(=O)(=O)Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C20H25N3O3S/c24-20(21-18-9-5-2-6-10-18)15-23-13-11-19(12-14-23)22-27(25,26)16-17-7-3-1-4-8-17/h1-10,19,22H,11-16H2,(H,21,24)
InChIKeySIMYOTNXYCMERK-UHFFFAOYSA-N
XLogP2.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
CID 110819188
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 24620947
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 16613527
2-(4-cyanopiperidin-1-yl)-N-phenylacetamide
CID 48940732
2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide
CID 112823323
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide (CID 51335811) is 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(NS(=O)(=O)Cc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is SIMYOTNXYCMERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(21-18-9-5-2-6-10-18)15-23-13-11-19(12-14-23)22-27(25,26)16-17-7-3-1-4-8-17/h1-10,19,22H,11-16H2,(H,21,24).
What are the key properties of 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide?
2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 387.50 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 51335811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).