N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

C23H24N6O3S — CID 24549169

IUPACN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)C1=O
InChIInChI=1S/C23H24N6O3S/c1-3-23(17-7-5-4-6-8-17)20(31)29(21(32)24-23)27-18(30)13-14-28-19(25-26-22(28)33)16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,24,32)(H,26,33)(H,27,30)
InChIKeySELJBJAAOJHFBN-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.19
Rot. Bonds7

About N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide (PubChem CID 24549169) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
PubChem CID24549169
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)C1=O
InChIInChI=1S/C23H24N6O3S/c1-3-23(17-7-5-4-6-8-17)20(31)29(21(32)24-23)27-18(30)13-14-28-19(25-26-22(28)33)16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,24,32)(H,26,33)(H,27,30)
InChIKeySELJBJAAOJHFBN-UHFFFAOYSA-N
XLogP3.19
TPSA112.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24549168
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
N'-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]benzohydrazide
CID 51274661
N-(2-hydroxyphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 17414964
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pyridin-2-ylpropanamide
CID 35035254
2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289684
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55530981
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9294111
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide?
The IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide (CID 24549169) is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide.
What is the SMILES notation for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide?
The canonical SMILES for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide is CCC1(c2ccccc2)NC(=O)N(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)C1=O.
What is the InChIKey of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide?
The InChIKey is SELJBJAAOJHFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-3-23(17-7-5-4-6-8-17)20(31)29(21(32)24-23)27-18(30)13-14-28-19(25-26-22(28)33)16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,24,32)(H,26,33)(H,27,30).
What are the key properties of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide?
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide has a molecular weight of 464.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide is sourced from PubChem (CID 24549169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).