N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C18H23ClN4O6S2 — CID 41124220

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41124220) has the molecular formula C18H23ClN4O6S2 and a molecular weight of 490.99 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 41124220
• Molecular Formula: C18H23ClN4O6S2
• Molecular Weight: 490.99 g/mol
• Exact Mass: 490.07
• IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O
• InChI: InChI=1S/C18H23ClN4O6S2/c1-30-9-4-14-17(25)23(18(26)21-14)11-16(24)20-12-2-3-13(19)15(10-12)31(27,28)22-5-7-29-8-6-22/h2-3,10,14H,4-9,11H2,1H3,(H,20,24)(H,21,26)/t14-/m1/s1
• InChIKey: SQFOJFJSLSNIAH-CQSZACIVSA-N
• XLogP: 0.97
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.99
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41124220) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O.

What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is SQFOJFJSLSNIAH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN4O6S2/c1-30-9-4-14-17(25)23(18(26)21-14)11-16(24)20-12-2-3-13(19)15(10-12)31(27,28)22-5-7-29-8-6-22/h2-3,10,14H,4-9,11H2,1H3,(H,20,24)(H,21,26)/t14-/m1/s1.

What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 490.99 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41124220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).