2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C20H21N3O3S — CID 29318902

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCc1ccc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C20H21N3O3S/c1-13-9-10-16(11-14(13)2)27-12-17(24)22-23-18(25)20(3,21-19(23)26)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,21,26)(H,22,24)/t20-/m1/s1
InChIKeyBNJMHSPWFKJLLD-HXUWFJFHSA-N
MW383.47 g/mol
LogP2.89
Rot. Bonds5

About 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 29318902) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID29318902
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCc1ccc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C20H21N3O3S/c1-13-9-10-16(11-14(13)2)27-12-17(24)22-23-18(25)20(3,21-19(23)26)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,21,26)(H,22,24)/t20-/m1/s1
InChIKeyBNJMHSPWFKJLLD-HXUWFJFHSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.89
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

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41215194
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41215189
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40776699
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide
CID 9271687
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9263781
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4966872
2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205311
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 92786814
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8879472

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 29318902) is 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is Cc1ccc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is BNJMHSPWFKJLLD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-9-10-16(11-14(13)2)27-12-17(24)22-23-18(25)20(3,21-19(23)26)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,21,26)(H,22,24)/t20-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 29318902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).