3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide

C18H25N3O6S — CID 134542844

IUPAC3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide
SMILESO=C1CN(CCOCCCNS(=O)(=O)c2cccc(OCC3CC3)c2)C(=O)N1
InChIInChI=1S/C18H25N3O6S/c22-17-12-21(18(23)20-17)8-10-26-9-2-7-19-28(24,25)16-4-1-3-15(11-16)27-13-14-5-6-14/h1,3-4,11,14,19H,2,5-10,12-13H2,(H,20,22,23)
InChIKeySLYOSIAJMVBDCU-UHFFFAOYSA-N
MW411.48 g/mol
LogP0.71
Rot. Bonds12

About 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide

3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide (PubChem CID 134542844) has the molecular formula C18H25N3O6S and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide
PubChem CID134542844
Molecular FormulaC18H25N3O6S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC Name3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide
SMILESO=C1CN(CCOCCCNS(=O)(=O)c2cccc(OCC3CC3)c2)C(=O)N1
InChIInChI=1S/C18H25N3O6S/c22-17-12-21(18(23)20-17)8-10-26-9-2-7-19-28(24,25)16-4-1-3-15(11-16)27-13-14-5-6-14/h1,3-4,11,14,19H,2,5-10,12-13H2,(H,20,22,23)
InChIKeySLYOSIAJMVBDCU-UHFFFAOYSA-N
XLogP0.71
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 50.71
H-Bond Donors ≤ 52
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 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide (CID 134542844) is 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide is O=C1CN(CCOCCCNS(=O)(=O)c2cccc(OCC3CC3)c2)C(=O)N1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide?
The InChIKey is SLYOSIAJMVBDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6S/c22-17-12-21(18(23)20-17)8-10-26-9-2-7-19-28(24,25)16-4-1-3-15(11-16)27-13-14-5-6-14/h1,3-4,11,14,19H,2,5-10,12-13H2,(H,20,22,23).
What are the key properties of 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide?
3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide has a molecular weight of 411.48 g/mol, XLogP of 0.71, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide is sourced from PubChem (CID 134542844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).