2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide

C21H22N4O5S — CID 124852077

IUPAC2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C21H22N4O5S/c26-19(22-16-7-9-17(10-8-16)25-11-4-12-31(25,29)30)13-18-20(27)24(21(28)23-18)14-15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-14H2,(H,22,26)(H,23,28)/t18-/m1/s1
InChIKeyUEGUDOLBBKVSAQ-GOSISDBHSA-N
MW442.50 g/mol
LogP1.68
Rot. Bonds6

About 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide

2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide (PubChem CID 124852077) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
PubChem CID124852077
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C21H22N4O5S/c26-19(22-16-7-9-17(10-8-16)25-11-4-12-31(25,29)30)13-18-20(27)24(21(28)23-18)14-15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-14H2,(H,22,26)(H,23,28)/t18-/m1/s1
InChIKeyUEGUDOLBBKVSAQ-GOSISDBHSA-N
XLogP1.68
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide (CID 124852077) is 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide is O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The InChIKey is UEGUDOLBBKVSAQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N4O5S/c26-19(22-16-7-9-17(10-8-16)25-11-4-12-31(25,29)30)13-18-20(27)24(21(28)23-18)14-15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-14H2,(H,22,26)(H,23,28)/t18-/m1/s1.
What are the key properties of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 124852077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).