2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide

C20H20ClN3O2S — CID 41234179

IUPAC2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)C[S@](=O)c2ncc(-c3ccc(Cl)cc3)n2C)c1C
InChIInChI=1S/C20H20ClN3O2S/c1-13-5-4-6-17(14(13)2)23-19(25)12-27(26)20-22-11-18(24(20)3)15-7-9-16(21)10-8-15/h4-11H,12H2,1-3H3,(H,23,25)/t27-/m0/s1
InChIKeyRATMZXVAUIWKLS-MHZLTWQESA-N
MW401.92 g/mol
LogP4.10
Rot. Bonds5

About 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide

2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 41234179) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID41234179
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)C[S@](=O)c2ncc(-c3ccc(Cl)cc3)n2C)c1C
InChIInChI=1S/C20H20ClN3O2S/c1-13-5-4-6-17(14(13)2)23-19(25)12-27(26)20-22-11-18(24(20)3)15-7-9-16(21)10-8-15/h4-11H,12H2,1-3H3,(H,23,25)/t27-/m0/s1
InChIKeyRATMZXVAUIWKLS-MHZLTWQESA-N
XLogP4.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxamide
CID 53040163
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113201524
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 1176632
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870
1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea
CID 22577946
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 16815054
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide (CID 41234179) is 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)C[S@](=O)c2ncc(-c3ccc(Cl)cc3)n2C)c1C.
What is the InChIKey of 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is RATMZXVAUIWKLS-MHZLTWQESA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-13-5-4-6-17(14(13)2)23-19(25)12-27(26)20-22-11-18(24(20)3)15-7-9-16(21)10-8-15/h4-11H,12H2,1-3H3,(H,23,25)/t27-/m0/s1.
What are the key properties of 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide?
2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 401.92 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinyl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 41234179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).