N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C24H27N3O5S — CID 51556267

IUPACN-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C24H27N3O5S/c1-17-8-10-20(11-9-17)27-18(2)23(29)26(24(27)30)15-22(28)25(14-19-6-4-3-5-7-19)21-12-13-33(31,32)16-21/h3-11,18,21H,12-16H2,1-2H3/t18-,21-/m0/s1
InChIKeyPFROGPDJAFHEQE-RXVVDRJESA-N
MW469.56 g/mol
LogP2.37
Rot. Bonds6

About N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 51556267) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID51556267
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C24H27N3O5S/c1-17-8-10-20(11-9-17)27-18(2)23(29)26(24(27)30)15-22(28)25(14-19-6-4-3-5-7-19)21-12-13-33(31,32)16-21/h3-11,18,21H,12-16H2,1-2H3/t18-,21-/m0/s1
InChIKeyPFROGPDJAFHEQE-RXVVDRJESA-N
XLogP2.37
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47004330
N-cyclopropyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide
CID 39537413
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenoxy)acetamide
CID 4653805
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 7118821
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 41014358
[(3R)-1,1-dioxothiolan-3-yl]-ethyl-[[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9242351
(3S)-N-benzyl-N-[(4-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 129370823
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 19114652
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 40561453
(5R)-5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]imidazolidine-2,4-dione
CID 2470328
(2R)-4-[2-[benzyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 124802884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 51556267) is N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(N2C(=O)N(CC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is PFROGPDJAFHEQE-RXVVDRJESA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-17-8-10-20(11-9-17)27-18(2)23(29)26(24(27)30)15-22(28)25(14-19-6-4-3-5-7-19)21-12-13-33(31,32)16-21/h3-11,18,21H,12-16H2,1-2H3/t18-,21-/m0/s1.
What are the key properties of N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 469.56 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 51556267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).