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

C18H27N3O4S — CID 108564016

IUPACN-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-2-3-13-26(24,25)20-16-9-11-21(12-10-16)17(22)14-19-18(23)15-7-5-4-6-8-15/h4-8,16,20H,2-3,9-14H2,1H3,(H,19,23)
InChIKeyHWZIOQNHOSRJGK-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.13
Rot. Bonds8

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

N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 108564016) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID108564016
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-2-3-13-26(24,25)20-16-9-11-21(12-10-16)17(22)14-19-18(23)15-7-5-4-6-8-15/h4-8,16,20H,2-3,9-14H2,1H3,(H,19,23)
InChIKeyHWZIOQNHOSRJGK-UHFFFAOYSA-N
XLogP1.13
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
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-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108566307
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide (CID 108564016) is N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide is CCCCS(=O)(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is HWZIOQNHOSRJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-2-3-13-26(24,25)20-16-9-11-21(12-10-16)17(22)14-19-18(23)15-7-5-4-6-8-15/h4-8,16,20H,2-3,9-14H2,1H3,(H,19,23).
What are the key properties of N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 381.50 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 108564016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).