N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide

C20H20ClN3O3S — CID 7150957

IUPACN-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C20H20ClN3O3S/c1-26-15-7-8-17(18(11-15)27-2)24-10-9-22-20(24)28-13-19(25)23-12-14-5-3-4-6-16(14)21/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyFXDKOERDGCSYJZ-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.95
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150957) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150957
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C20H20ClN3O3S/c1-26-15-7-8-17(18(11-15)27-2)24-10-9-22-20(24)28-13-19(25)23-12-14-5-3-4-6-16(14)21/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyFXDKOERDGCSYJZ-UHFFFAOYSA-N
XLogP3.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 22585488
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40661407
2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 3042664
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41473059
N-[(2-chlorophenyl)methyl]-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2519954
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 22518394
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223
N-[(2-chlorophenyl)methyl]-2-[[4-(4-methoxyphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5309405

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150957) is N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2Cl)c(OC)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is FXDKOERDGCSYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-26-15-7-8-17(18(11-15)27-2)24-10-9-22-20(24)28-13-19(25)23-12-14-5-3-4-6-16(14)21/h3-11H,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 417.92 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).