N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene

C173H224N16O19S6 — CID 158149845

About N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene

N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene (PubChem CID 158149845) has the molecular formula C173H224N16O19S6 and a molecular weight of 3024.19 g/mol. Its IUPAC name is N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene.

Molecular Properties

• Compound Name: N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene
• PubChem CID: 158149845
• Molecular Formula: C173H224N16O19S6
• Molecular Weight: 3024.19 g/mol
• Exact Mass: 3021.54
• IUPAC Name: N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene
• SMILES: C=S(C)(=O)c1ccc(C)c(C)c1.C=S(C)(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.CCC(=O)Cc1ccc(C)cc1.CCNC(=O)c1ccc(C)cc1.CCOc1ccc(C)cn1.CCc1nccn1C.CNC(=O)c1ccc(C)cc1.Cc1cc(S(C)(=O)=O)cnc1C.Cc1ccc(C)cc1.Cc1ccc(CC#N)cc1.Cc1ccc(CC(=O)N(C)C)cc1.Cc1ccc(CC(N)=O)cc1.Cc1ccc(CS(C)(=O)=O)cc1.Cc1ccc(S(C)(=O)=O)cn1.Cc1ccc(S(C)(=O)=O)nc1.Cc1ccccc1.Cc1cccn1C.Cc1cccnc1.Cc1cnco1.Cc1ncoc1C.Cn1cccc1
• InChI: InChI=1S/C11H15NO.C11H14O.C10H13NO.C10H14OS.2C9H11NO.C9H9N.C9H12O2S.C9H12OS.C9H10O.C8H11NO2S.C8H11NO.C8H10.2C7H9NO2S.C7H8.C6H10N2.C6H9N.C6H7N.C5H7NO.C5H7N.C4H5NO/c1-9-4-6-10(7-5-9)8-11(13)12(2)3;1-3-11(12)8-10-6-4-9(2)5-7-10;1-3-11-10(12)9-6-4-8(2)5-7-9;1-8-5-6-10(7-9(8)2)12(3,4)11;1-7-3-5-8(6-4-7)9(11)10-2;1-7-2-4-8(5-3-7)6-9(10)11;1-8-2-4-9(5-3-8)6-7-10;1-8-3-5-9(6-4-8)7-12(2,10)11;1-8-4-6-9(7-5-8)11(2,3)10;1-7-3-5-9(6-4-7)8(2)10;1-6-4-8(12(3,10)11)5-9-7(6)2;1-3-10-8-5-4-7(2)6-9-8;1-7-3-5-8(2)6-4-7;1-6-3-4-7(5-8-6)11(2,9)10;1-6-3-4-7(8-5-6)11(2,9)10;1-7-5-3-2-4-6-7;1-3-6-7-4-5-8(6)2;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;1-4-5(2)7-3-6-4;1-6-4-2-3-5-6;1-4-2-5-3-6-4/h4-7H,8H2,1-3H3;4-7H,3,8H2,1-2H3;4-7H,3H2,1-2H3,(H,11,12);5-7H,3H2,1-2,4H3;3-6H,1-2H3,(H,10,11);2-5H,6H2,1H3,(H2,10,11);2-5H,6H2,1H3;3-6H,7H2,1-2H3;4-7H,2H2,1,3H3;3-6H,1-2H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;2-6H,1H3;4-5H,3H2,1-2H3;3-5H,1-2H3;2-5H,1H3;3H,1-2H3;2-5H,1H3;2-3H,1H3
• InChIKey: FUYVIDMGVRXCKB-UHFFFAOYSA-N
• XLogP: 33.55
• TPSA: 503.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3024.19
LogP ≤ 5	33.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene?

The IUPAC name of N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene (CID 158149845) is N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene.

What is the SMILES notation for N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene?

The canonical SMILES for N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene is C=S(C)(=O)c1ccc(C)c(C)c1.C=S(C)(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.CCC(=O)Cc1ccc(C)cc1.CCNC(=O)c1ccc(C)cc1.CCOc1ccc(C)cn1.CCc1nccn1C.CNC(=O)c1ccc(C)cc1.Cc1cc(S(C)(=O)=O)cnc1C.Cc1ccc(C)cc1.Cc1ccc(CC#N)cc1.Cc1ccc(CC(=O)N(C)C)cc1.Cc1ccc(CC(N)=O)cc1.Cc1ccc(CS(C)(=O)=O)cc1.Cc1ccc(S(C)(=O)=O)cn1.Cc1ccc(S(C)(=O)=O)nc1.Cc1ccccc1.Cc1cccn1C.Cc1cccnc1.Cc1cnco1.Cc1ncoc1C.Cn1cccc1.

What is the InChIKey of N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene?

The InChIKey is FUYVIDMGVRXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C11H14O.C10H13NO.C10H14OS.2C9H11NO.C9H9N.C9H12O2S.C9H12OS.C9H10O.C8H11NO2S.C8H11NO.C8H10.2C7H9NO2S.C7H8.C6H10N2.C6H9N.C6H7N.C5H7NO.C5H7N.C4H5NO/c1-9-4-6-10(7-5-9)8-11(13)12(2)3;1-3-11(12)8-10-6-4-9(2)5-7-10;1-3-11-10(12)9-6-4-8(2)5-7-9;1-8-5-6-10(7-9(8)2)12(3,4)11;1-7-3-5-8(6-4-7)9(11)10-2;1-7-2-4-8(5-3-7)6-9(10)11;1-8-2-4-9(5-3-8)6-7-10;1-8-3-5-9(6-4-8)7-12(2,10)11;1-8-4-6-9(7-5-8)11(2,3)10;1-7-3-5-9(6-4-7)8(2)10;1-6-4-8(12(3,10)11)5-9-7(6)2;1-3-10-8-5-4-7(2)6-9-8;1-7-3-5-8(2)6-4-7;1-6-3-4-7(5-8-6)11(2,9)10;1-6-3-4-7(8-5-6)11(2,9)10;1-7-5-3-2-4-6-7;1-3-6-7-4-5-8(6)2;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;1-4-5(2)7-3-6-4;1-6-4-2-3-5-6;1-4-2-5-3-6-4/h4-7H,8H2,1-3H3;4-7H,3,8H2,1-2H3;4-7H,3H2,1-2H3,(H,11,12);5-7H,3H2,1-2,4H3;3-6H,1-2H3,(H,10,11);2-5H,6H2,1H3,(H2,10,11);2-5H,6H2,1H3;3-6H,7H2,1-2H3;4-7H,2H2,1,3H3;3-6H,1-2H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;2-6H,1H3;4-5H,3H2,1-2H3;3-5H,1-2H3;2-5H,1H3;3H,1-2H3;2-5H,1H3;2-3H,1H3.

What are the key properties of N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene?

N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene has a molecular weight of 3024.19 g/mol, XLogP of 33.55, 22 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-dimethylbenzamide;N,N-dimethyl-2-(4-methylphenyl)acetamide;2,3-dimethyl-5-methylsulfonylpyridine;4,5-dimethyl-1,3-oxazole;(3,4-dimethylphenyl)-methyl-methylidene-oxo-λ6-sulfane;1,2-dimethylpyrrole;2-ethoxy-5-methylpyridine;N-ethyl-4-methylbenzamide;2-ethyl-1-methylimidazole;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;1-methyl-4-(methylsulfonylmethyl)benzene;2-methyl-5-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;5-methyl-1,3-oxazole;2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetonitrile;1-(4-methylphenyl)butan-2-one;1-(4-methylphenyl)ethanone;3-methylpyridine;1-methylpyrrole;toluene;1,4-xylene is sourced from PubChem (CID 158149845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).