4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide

C24H33N3O6S — CID 142186257

IUPAC4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)c2ccc(OCCCN3C(=O)CN(C4CCCCC4)C3=O)cc2)CCOCC1
InChIInChI=1S/C24H33N3O6S/c25-22(29)24(11-15-32-16-12-24)34(31)20-9-7-19(8-10-20)33-14-4-13-26-21(28)17-27(23(26)30)18-5-2-1-3-6-18/h7-10,18H,1-6,11-17H2,(H2,25,29)
InChIKeyLHNPZSOILYXVOL-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.19
Rot. Bonds9

About 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide

4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide (PubChem CID 142186257) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide
PubChem CID142186257
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)c2ccc(OCCCN3C(=O)CN(C4CCCCC4)C3=O)cc2)CCOCC1
InChIInChI=1S/C24H33N3O6S/c25-22(29)24(11-15-32-16-12-24)34(31)20-9-7-19(8-10-20)33-14-4-13-26-21(28)17-27(23(26)30)18-5-2-1-3-6-18/h7-10,18H,1-6,11-17H2,(H2,25,29)
InChIKeyLHNPZSOILYXVOL-UHFFFAOYSA-N
XLogP2.19
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide?
The IUPAC name of 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide (CID 142186257) is 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide?
The canonical SMILES for 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide is NC(=O)C1(S(=O)c2ccc(OCCCN3C(=O)CN(C4CCCCC4)C3=O)cc2)CCOCC1.
What is the InChIKey of 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide?
The InChIKey is LHNPZSOILYXVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c25-22(29)24(11-15-32-16-12-24)34(31)20-9-7-19(8-10-20)33-14-4-13-26-21(28)17-27(23(26)30)18-5-2-1-3-6-18/h7-10,18H,1-6,11-17H2,(H2,25,29).
What are the key properties of 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide?
4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide is sourced from PubChem (CID 142186257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).