2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H25N3O4S — CID 51126451

IUPAC2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C18H25N3O4S/c1-14-12-15(21-11-5-6-17(21)22)7-8-16(14)26(24,25)19-13-18(23)20-9-3-2-4-10-20/h7-8,12,19H,2-6,9-11,13H2,1H3
InChIKeyAZIZVPNXPYOLSF-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.41
Rot. Bonds5

About 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 51126451) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID51126451
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C18H25N3O4S/c1-14-12-15(21-11-5-6-17(21)22)7-8-16(14)26(24,25)19-13-18(23)20-9-3-2-4-10-20/h7-8,12,19H,2-6,9-11,13H2,1H3
InChIKeyAZIZVPNXPYOLSF-UHFFFAOYSA-N
XLogP1.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
N,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47081395
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
CID 75443856
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
4-ethoxy-2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712524
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 52508786
N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide
CID 51126448
N-(2-ethoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86848405
2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995675
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 56555702
(4-acetamidophenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 51126451) is 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is AZIZVPNXPYOLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-14-12-15(21-11-5-6-17(21)22)7-8-16(14)26(24,25)19-13-18(23)20-9-3-2-4-10-20/h7-8,12,19H,2-6,9-11,13H2,1H3.
What are the key properties of 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 51126451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).