N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide

C15H18ClN3OS — CID 42255415

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
SMILESCCn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C15H18ClN3OS/c1-4-19-6-5-17-15(19)21-9-13(20)18-14-11(3)7-10(2)8-12(14)16/h5-8H,4,9H2,1-3H3,(H,18,20)
InChIKeyLMBJNRQHVLIITJ-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.90
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide (PubChem CID 42255415) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
PubChem CID42255415
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
SMILESCCn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C15H18ClN3OS/c1-4-19-6-5-17-15(19)21-9-13(20)18-14-11(3)7-10(2)8-12(14)16/h5-8H,4,9H2,1-3H3,(H,18,20)
InChIKeyLMBJNRQHVLIITJ-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237551
N-(2-chloro-4,6-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2460296
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7151116
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2704735
N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide
CID 91838587
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1287266
2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 4853870
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583
N-(2-chloro-4,6-dimethylphenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562608
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide (CID 42255415) is N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide is CCn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The InChIKey is LMBJNRQHVLIITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-4-19-6-5-17-15(19)21-9-13(20)18-14-11(3)7-10(2)8-12(14)16/h5-8H,4,9H2,1-3H3,(H,18,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide has a molecular weight of 323.85 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 42255415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).