N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide

C26H27N3O4S — CID 4917870

IUPACN-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCc2sccc2C)cc1
InChIInChI=1S/C26H27N3O4S/c1-3-33-21-11-9-19(10-12-21)27-24(30)17-22-25(31)29(20-7-5-4-6-8-20)26(32)28(22)15-13-23-18(2)14-16-34-23/h4-12,14,16,22H,3,13,15,17H2,1-2H3,(H,27,30)
InChIKeyIKTYDYUVKWOKLZ-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.86
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide (PubChem CID 4917870) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
PubChem CID4917870
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCc2sccc2C)cc1
InChIInChI=1S/C26H27N3O4S/c1-3-33-21-11-9-19(10-12-21)27-24(30)17-22-25(31)29(20-7-5-4-6-8-20)26(32)28(22)15-13-23-18(2)14-16-34-23/h4-12,14,16,22H,3,13,15,17H2,1-2H3,(H,27,30)
InChIKeyIKTYDYUVKWOKLZ-UHFFFAOYSA-N
XLogP4.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
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 N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide (CID 4917870) is N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCc2sccc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The InChIKey is IKTYDYUVKWOKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-3-33-21-11-9-19(10-12-21)27-24(30)17-22-25(31)29(20-7-5-4-6-8-20)26(32)28(22)15-13-23-18(2)14-16-34-23/h4-12,14,16,22H,3,13,15,17H2,1-2H3,(H,27,30).
What are the key properties of N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide has a molecular weight of 477.59 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4917870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).