N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

C13H13N3O5S — CID 98389596

IUPACN-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)[C@H]2NC(=S)NC2=O)c(OC)c1
InChIInChI=1S/C13H13N3O5S/c1-20-6-3-4-7(8(5-6)21-2)14-12(19)10(17)9-11(18)16-13(22)15-9/h3-5,9H,1-2H3,(H,14,19)(H2,15,16,18,22)/t9-/m1/s1
InChIKeyZWXGVEPRAAYEPQ-SECBINFHSA-N
MW323.33 g/mol
LogP-0.42
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 98389596) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID98389596
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC NameN-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)[C@H]2NC(=S)NC2=O)c(OC)c1
InChIInChI=1S/C13H13N3O5S/c1-20-6-3-4-7(8(5-6)21-2)14-12(19)10(17)9-11(18)16-13(22)15-9/h3-5,9H,1-2H3,(H,14,19)(H2,15,16,18,22)/t9-/m1/s1
InChIKeyZWXGVEPRAAYEPQ-SECBINFHSA-N
XLogP-0.42
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
(4S)-N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1322115
(4R)-4-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1333172
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
(4S)-N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1263715
N-(2,4-dimethoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987426
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108523939
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N-(2,4-dimethoxyphenyl)-4-(2-methoxynaphthalen-1-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2908607
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 98389596) is N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is COc1ccc(NC(=O)C(=O)[C@H]2NC(=S)NC2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is ZWXGVEPRAAYEPQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H13N3O5S/c1-20-6-3-4-7(8(5-6)21-2)14-12(19)10(17)9-11(18)16-13(22)15-9/h3-5,9H,1-2H3,(H,14,19)(H2,15,16,18,22)/t9-/m1/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 323.33 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 98389596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).