N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide

C20H26N2O5S — CID 56588472

IUPACN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C20H26N2O5S/c1-2-3-12-28(25,26)21-14-15-8-10-22(11-9-15)20(24)19(23)18-13-16-6-4-5-7-17(16)27-18/h4-7,13,15,21H,2-3,8-12,14H2,1H3
InChIKeyUSHZKUDLCCKKEK-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.57
Rot. Bonds8

About N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide

N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide (PubChem CID 56588472) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide
PubChem CID56588472
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C20H26N2O5S/c1-2-3-12-28(25,26)21-14-15-8-10-22(11-9-15)20(24)19(23)18-13-16-6-4-5-7-17(16)27-18/h4-7,13,15,21H,2-3,8-12,14H2,1H3
InChIKeyUSHZKUDLCCKKEK-UHFFFAOYSA-N
XLogP2.57
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide
CID 56588504
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 56588510
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 56588503
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56588520
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
N-[[1-(2-bromoacetyl)piperidin-4-yl]methyl]butane-1-sulfonamide
CID 54197067
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
CID 72717929
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide (CID 56588472) is N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide?
The InChIKey is USHZKUDLCCKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-2-3-12-28(25,26)21-14-15-8-10-22(11-9-15)20(24)19(23)18-13-16-6-4-5-7-17(16)27-18/h4-7,13,15,21H,2-3,8-12,14H2,1H3.
What are the key properties of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide?
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 56588472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).