N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide

About N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide

N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide (PubChem CID 70889587) has the molecular formula C21H23N5O6S and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound Name	N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide
PubChem CID	70889587
Molecular Formula	C21H23N5O6S
Molecular Weight	473.51 g/mol
Exact Mass	473.14
IUPAC Name	N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide
SMILES	COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cncc(NS(=O)(=O)C(C)C)c3)NC(=O)NC1=O)C2
InChI	InChI=1S/C21H23N5O6S/c1-12(2)33(30,31)25-15-6-14(8-22-9-15)21(19(28)23-20(29)24-21)11-26-10-13-4-5-16(32-3)7-17(13)18(26)27/h4-9,12,25H,10-11H2,1-3H3,(H2,23,24,28,29)/t21-/m0/s1
InChIKey	HWHLGZUOBOSSSM-NRFANRHFSA-N
XLogP	0.93
TPSA	146.80 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide?

The IUPAC name of N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide (CID 70889587) is N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide.

What is the SMILES notation for N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide?

The canonical SMILES for N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cncc(NS(=O)(=O)C(C)C)c3)NC(=O)NC1=O)C2.

What is the InChIKey of N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide?

The InChIKey is HWHLGZUOBOSSSM-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N5O6S/c1-12(2)33(30,31)25-15-6-14(8-22-9-15)21(19(28)23-20(29)24-21)11-26-10-13-4-5-16(32-3)7-17(13)18(26)27/h4-9,12,25H,10-11H2,1-3H3,(H2,23,24,28,29)/t21-/m0/s1.

What are the key properties of N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide?

N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 473.51 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 70889587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).