N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C20H20ClN3O3S — CID 41473059

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2nccn2-c2ccccc2C)c(OC)cc1Cl
InChIInChI=1S/C20H20ClN3O3S/c1-13-6-4-5-7-16(13)24-9-8-22-20(24)28-12-19(25)23-15-11-17(26-2)14(21)10-18(15)27-3/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyZVRVDHLMVBCNJS-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.58
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 41473059) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID41473059
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2nccn2-c2ccccc2C)c(OC)cc1Cl
InChIInChI=1S/C20H20ClN3O3S/c1-13-6-4-5-7-16(13)24-9-8-22-20(24)28-12-19(25)23-15-11-17(26-2)14(21)10-18(15)27-3/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyZVRVDHLMVBCNJS-UHFFFAOYSA-N
XLogP4.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
N-(2-methoxyphenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
CID 5275167
N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55846055
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4232174
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19727977
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3719439
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 34715637
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 41473059) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is COc1cc(NC(=O)CSc2nccn2-c2ccccc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is ZVRVDHLMVBCNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-13-6-4-5-7-16(13)24-9-8-22-20(24)28-12-19(25)23-15-11-17(26-2)14(21)10-18(15)27-3/h4-11H,12H2,1-3H3,(H,23,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 417.92 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 41473059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).