N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide

C16H22N4O4S — CID 128993643

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)c3cc(C)oc3C)C2=O)n(C)n1
InChIInChI=1S/C16H22N4O4S/c1-10-8-15(19(4)17-10)20-7-5-6-13(16(20)21)18-25(22,23)14-9-11(2)24-12(14)3/h8-9,13,18H,5-7H2,1-4H3
InChIKeyPYRWCQRUFPVONN-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.41
Rot. Bonds4

About N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide (PubChem CID 128993643) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
PubChem CID128993643
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)c3cc(C)oc3C)C2=O)n(C)n1
InChIInChI=1S/C16H22N4O4S/c1-10-8-15(19(4)17-10)20-7-5-6-13(16(20)21)18-25(22,23)14-9-11(2)24-12(14)3/h8-9,13,18H,5-7H2,1-4H3
InChIKeyPYRWCQRUFPVONN-UHFFFAOYSA-N
XLogP1.41
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide with MolForge

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Related Compounds

4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide
CID 100649210
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide
CID 75494366
(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328277
4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 129470983
3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide
CID 129470991
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide
CID 154749426
(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide
CID 129325928
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide
CID 127397792
3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 75512323
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
CID 75512322
5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 125146648
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide (CID 128993643) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide is Cc1cc(N2CCCC(NS(=O)(=O)c3cc(C)oc3C)C2=O)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is PYRWCQRUFPVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-10-8-15(19(4)17-10)20-7-5-6-13(16(20)21)18-25(22,23)14-9-11(2)24-12(14)3/h8-9,13,18H,5-7H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 366.44 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 128993643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).