N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide

C24H25N5O5S — CID 55400511

IUPACN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C24H25N5O5S/c1-4-24(2)21(32)29(22(33)26-24)27-19(30)14-35-23-25-18-8-6-5-7-17(18)20(31)28(23)13-15-9-11-16(34-3)12-10-15/h5-12H,4,13-14H2,1-3H3,(H,26,33)(H,27,30)
InChIKeyBPGZIEGBCUJGKI-UHFFFAOYSA-N
MW495.56 g/mol
LogP2.30
Rot. Bonds8

About N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 55400511) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID55400511
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C24H25N5O5S/c1-4-24(2)21(32)29(22(33)26-24)27-19(30)14-35-23-25-18-8-6-5-7-17(18)20(31)28(23)13-15-9-11-16(34-3)12-10-15/h5-12H,4,13-14H2,1-3H3,(H,26,33)(H,27,30)
InChIKeyBPGZIEGBCUJGKI-UHFFFAOYSA-N
XLogP2.30
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
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CID 46607337
N-(4-methoxyphenyl)-2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanylacetamide
CID 165416995
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CID 2608290
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CID 55862178
2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 42983606
4-[[2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propylbenzamide
CID 46351085
3-[(4-methoxyphenyl)methyl]-2-(2-phenylethylsulfanyl)quinazolin-4-one
CID 51365408
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CID 2084922

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 55400511) is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide is CCC1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is BPGZIEGBCUJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-4-24(2)21(32)29(22(33)26-24)27-19(30)14-35-23-25-18-8-6-5-7-17(18)20(31)28(23)13-15-9-11-16(34-3)12-10-15/h5-12H,4,13-14H2,1-3H3,(H,26,33)(H,27,30).
What are the key properties of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 495.56 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 55400511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).