2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide

C25H22ClN3O3S — CID 2936486

IUPAC2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CC1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1Cl
InChIInChI=1S/C25H22ClN3O3S/c1-32-22-14-8-7-13-20(22)27-23(30)15-21-24(31)29(18-10-3-2-4-11-18)25(33)28(21)16-17-9-5-6-12-19(17)26/h2-14,21H,15-16H2,1H3,(H,27,30)
InChIKeyFQPVRQZOLDBYQJ-UHFFFAOYSA-N
MW479.99 g/mol
LogP4.88
Rot. Bonds7

About 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide

2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 2936486) has the molecular formula C25H22ClN3O3S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID2936486
Molecular FormulaC25H22ClN3O3S
Molecular Weight479.99 g/mol
Exact Mass479.11
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CC1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1Cl
InChIInChI=1S/C25H22ClN3O3S/c1-32-22-14-8-7-13-20(22)27-23(30)15-21-24(31)29(18-10-3-2-4-11-18)25(33)28(21)16-17-9-5-6-12-19(17)26/h2-14,21H,15-16H2,1H3,(H,27,30)
InChIKeyFQPVRQZOLDBYQJ-UHFFFAOYSA-N
XLogP4.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-3-[(2-chlorophenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide
CID 40958209
2-[(4R)-3-[(2-chlorophenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide
CID 41165122
N-(4-methoxyphenyl)-2-[(4R)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 40807784
N-(4-fluorophenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 1347932
2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3750214
methyl 4-[[2-[3-benzyl-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 46497514
2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 1130400
2-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3681133
2-[1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 5079526
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide
CID 3572645
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3140278

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide (CID 2936486) is 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CC1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1Cl.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FQPVRQZOLDBYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3S/c1-32-22-14-8-7-13-20(22)27-23(30)15-21-24(31)29(18-10-3-2-4-11-18)25(33)28(21)16-17-9-5-6-12-19(17)26/h2-14,21H,15-16H2,1H3,(H,27,30).
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide?
2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 479.99 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2936486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).