4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide

C20H21N3O3S — CID 55902374

IUPAC4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
SMILESCCSCc1ccc(C(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-27-13-14-9-11-15(12-10-14)17(24)22-23-18(25)20(2,21-19(23)26)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyQXZRNQLTQDGRLT-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.05
Rot. Bonds6

About 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide

4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide (PubChem CID 55902374) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
PubChem CID55902374
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
SMILESCCSCc1ccc(C(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-27-13-14-9-11-15(12-10-14)17(24)22-23-18(25)20(2,21-19(23)26)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyQXZRNQLTQDGRLT-UHFFFAOYSA-N
XLogP3.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55542313
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
CID 84861598
N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide
CID 9166737
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41203446
2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide
CID 55342530
3,5-dimethoxy-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879493
1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40956677
5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
CID 33147475
2-bromo-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879406
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
[4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 55342948

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide (CID 55902374) is 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide is CCSCc1ccc(C(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The InChIKey is QXZRNQLTQDGRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-27-13-14-9-11-15(12-10-14)17(24)22-23-18(25)20(2,21-19(23)26)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55902374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).