2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide

C20H20N4O3S — CID 7456206

IUPAC2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)NN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N4O3S/c1-13-8-10-15(11-9-13)21-18(26)12-17-19(27)23(16-6-4-3-5-7-16)20(28)24(17)22-14(2)25/h3-11,17H,12H2,1-2H3,(H,21,26)(H,22,25)/t17-/m1/s1
InChIKeySTHJDMNJEABYNO-QGZVFWFLSA-N
MW396.47 g/mol
LogP2.38
Rot. Bonds5

About 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide

2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 7456206) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide
PubChem CID7456206
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)NN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N4O3S/c1-13-8-10-15(11-9-13)21-18(26)12-17-19(27)23(16-6-4-3-5-7-16)20(28)24(17)22-14(2)25/h3-11,17H,12H2,1-2H3,(H,21,26)(H,22,25)/t17-/m1/s1
InChIKeySTHJDMNJEABYNO-QGZVFWFLSA-N
XLogP2.38
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[3-[(4-bromobenzoyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 5079824
2-[(4S)-3-[(2-acetamidoacetyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(3-chlorophenyl)acetamide
CID 25305618
3-fluoro-N-[5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4099310
N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
CID 41067075
ethyl N-[5-[2-(methylamino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]carbamate
CID 24797225
ethyl 4-[[2-[3-[(3-methoxybenzoyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4061325
4-chloro-N-[4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4116473
2-[1-(4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 46505424
3-methyl-4-[[5-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]methyl]oxadiazol-3-ium-5-olate
CID 53296871
N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide
CID 4577263
N-[5-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-methoxybenzamide
CID 4247107
methyl 4-[[2-[3-[(4-chlorobenzoyl)amino]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4518808

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide (CID 7456206) is 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide is CC(=O)NN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is STHJDMNJEABYNO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13-8-10-15(11-9-13)21-18(26)12-17-19(27)23(16-6-4-3-5-7-16)20(28)24(17)22-14(2)25/h3-11,17H,12H2,1-2H3,(H,21,26)(H,22,25)/t17-/m1/s1.
What are the key properties of 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide?
2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7456206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).