(5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione

C21H29N5O7S — CID 31939946

About (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione

(5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione (PubChem CID 31939946) has the molecular formula C21H29N5O7S and a molecular weight of 495.56 g/mol. Its IUPAC name is (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
• PubChem CID: 31939946
• Molecular Formula: C21H29N5O7S
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.18
• IUPAC Name: (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
• SMILES: COc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@H](CC(=O)N4CCOCC4)C3=O)CC2)cc1
• InChI: InChI=1S/C21H29N5O7S/c1-32-16-2-4-17(5-3-16)34(30,31)25-8-6-23(7-9-25)15-26-20(28)18(22-21(26)29)14-19(27)24-10-12-33-13-11-24/h2-5,18H,6-15H2,1H3,(H,22,29)/t18-/m1/s1
• InChIKey: LEVNBKMUNZZJJV-GOSISDBHSA-N
• XLogP: -0.87
• TPSA: 128.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	-0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione (CID 31939946) is (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione is COc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@H](CC(=O)N4CCOCC4)C3=O)CC2)cc1.

What is the InChIKey of (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?

The InChIKey is LEVNBKMUNZZJJV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N5O7S/c1-32-16-2-4-17(5-3-16)34(30,31)25-8-6-23(7-9-25)15-26-20(28)18(22-21(26)29)14-19(27)24-10-12-33-13-11-24/h2-5,18H,6-15H2,1H3,(H,22,29)/t18-/m1/s1.

What are the key properties of (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?

(5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione has a molecular weight of 495.56 g/mol, XLogP of -0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 31939946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).