4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide

C16H22N4O5S — CID 119960766

IUPAC4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C16H22N4O5S/c1-16(14(21)18-15(22)19-16)12-9-11(3-4-13(12)25-2)26(23,24)20-10-5-7-17-8-6-10/h3-4,9-10,17,20H,5-8H2,1-2H3,(H2,18,19,21,22)
InChIKeyRQUIXAKNIKGAQD-UHFFFAOYSA-N
MW382.44 g/mol
LogP-0.22
Rot. Bonds5

About 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide

4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 119960766) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
PubChem CID119960766
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C16H22N4O5S/c1-16(14(21)18-15(22)19-16)12-9-11(3-4-13(12)25-2)26(23,24)20-10-5-7-17-8-6-10/h3-4,9-10,17,20H,5-8H2,1-2H3,(H2,18,19,21,22)
InChIKeyRQUIXAKNIKGAQD-UHFFFAOYSA-N
XLogP-0.22
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide (CID 119960766) is 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCNCC2)cc1C1(C)NC(=O)NC1=O.
What is the InChIKey of 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is RQUIXAKNIKGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-16(14(21)18-15(22)19-16)12-9-11(3-4-13(12)25-2)26(23,24)20-10-5-7-17-8-6-10/h3-4,9-10,17,20H,5-8H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide?
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 382.44 g/mol, XLogP of -0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 119960766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).