2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide

C20H22N4O5S — CID 90521618

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H22N4O5S/c25-19(14-24-17-5-1-2-6-18(17)29-20(24)26)22-12-15-7-10-23(11-8-15)30(27,28)16-4-3-9-21-13-16/h1-6,9,13,15H,7-8,10-12,14H2,(H,22,25)
InChIKeyWKNNZWSZDYJSPJ-UHFFFAOYSA-N
MW430.49 g/mol
LogP1.21
Rot. Bonds6

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide (PubChem CID 90521618) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide
PubChem CID90521618
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H22N4O5S/c25-19(14-24-17-5-1-2-6-18(17)29-20(24)26)22-12-15-7-10-23(11-8-15)30(27,28)16-4-3-9-21-13-16/h1-6,9,13,15H,7-8,10-12,14H2,(H,22,25)
InChIKeyWKNNZWSZDYJSPJ-UHFFFAOYSA-N
XLogP1.21
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 90521562
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
N'-(2-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521058
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521554
N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786358
N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521056

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide (CID 90521618) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide?
The InChIKey is WKNNZWSZDYJSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c25-19(14-24-17-5-1-2-6-18(17)29-20(24)26)22-12-15-7-10-23(11-8-15)30(27,28)16-4-3-9-21-13-16/h1-6,9,13,15H,7-8,10-12,14H2,(H,22,25).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide has a molecular weight of 430.49 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 90521618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).