N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

C22H24ClN3O4S — CID 2936210

IUPACN-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)N(Cc2ccc(OC)c(OC)c2)C1=S
InChIInChI=1S/C22H24ClN3O4S/c1-4-25-21(28)17(12-20(27)24-16-7-5-6-15(23)11-16)26(22(25)31)13-14-8-9-18(29-2)19(10-14)30-3/h5-11,17H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyYXMCWRNWUJQQGL-UHFFFAOYSA-N
MW461.97 g/mol
LogP3.70
Rot. Bonds8

About N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 2936210) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID2936210
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC NameN-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)N(Cc2ccc(OC)c(OC)c2)C1=S
InChIInChI=1S/C22H24ClN3O4S/c1-4-25-21(28)17(12-20(27)24-16-7-5-6-15(23)11-16)26(22(25)31)13-14-8-9-18(29-2)19(10-14)30-3/h5-11,17H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyYXMCWRNWUJQQGL-UHFFFAOYSA-N
XLogP3.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-(3,4-Dimethoxyphenethyl)-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetic acid
CID 16394802
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 2840641
3-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione
CID 2877731
N-(4-Methoxyphenyl)-2-{3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-YL}acetamide
CID 2892595
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3140567
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3141141
2-[3-(3,4-dimethoxybenzyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3703260
2-{1-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetamide
CID 3754116
N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 2367387
N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)-N'-phenylthiourea
CID 2866505
2-(1-benzyl-3-(3,4-dimethoxybenzyl)-5-oxo-2-thioxoimidazolidin-4-yl)-N-phenylacetamide
CID 2936820
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-ethoxyphenyl)acetamide
CID 2949909

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 2936210) is N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is CCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)N(Cc2ccc(OC)c(OC)c2)C1=S.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is YXMCWRNWUJQQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-4-25-21(28)17(12-20(27)24-16-7-5-6-15(23)11-16)26(22(25)31)13-14-8-9-18(29-2)19(10-14)30-3/h5-11,17H,4,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 461.97 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2936210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).