3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide

C25H30N2O5S — CID 76903093

IUPAC3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C25H30N2O5S/c1-25(2,20-11-8-17(9-12-20)14-19-10-13-23(28)26-24(19)29)27-33(30,31)22-5-3-4-21(15-22)32-16-18-6-7-18/h3-5,8-9,11-12,15,18-19,27H,6-7,10,13-14,16H2,1-2H3,(H,26,28,29)
InChIKeyYYOGKLQWHRNRRN-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.28
Rot. Bonds9

About 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide

3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide (PubChem CID 76903093) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide
PubChem CID76903093
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C25H30N2O5S/c1-25(2,20-11-8-17(9-12-20)14-19-10-13-23(28)26-24(19)29)27-33(30,31)22-5-3-4-21(15-22)32-16-18-6-7-18/h3-5,8-9,11-12,15,18-19,27H,6-7,10,13-14,16H2,1-2H3,(H,26,28,29)
InChIKeyYYOGKLQWHRNRRN-UHFFFAOYSA-N
XLogP3.28
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide (CID 76903093) is 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide is CC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(CC2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide?
The InChIKey is YYOGKLQWHRNRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-25(2,20-11-8-17(9-12-20)14-19-10-13-23(28)26-24(19)29)27-33(30,31)22-5-3-4-21(15-22)32-16-18-6-7-18/h3-5,8-9,11-12,15,18-19,27H,6-7,10,13-14,16H2,1-2H3,(H,26,28,29).
What are the key properties of 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide?
3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide has a molecular weight of 470.59 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 76903093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).