6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide

C21H25N3O3S2 — CID 24675184

IUPAC6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCc2coc(-c3ccc(C)cc3C)n2)nc1
InChIInChI=1S/C21H25N3O3S2/c1-5-24(6-2)29(25,26)18-8-10-20(22-12-18)28-14-17-13-27-21(23-17)19-9-7-15(3)11-16(19)4/h7-13H,5-6,14H2,1-4H3
InChIKeyDFUBOBKOEFZAJU-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.68
Rot. Bonds8

About 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide

6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 24675184) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID24675184
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC Name6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCc2coc(-c3ccc(C)cc3C)n2)nc1
InChIInChI=1S/C21H25N3O3S2/c1-5-24(6-2)29(25,26)18-8-10-20(22-12-18)28-14-17-13-27-21(23-17)19-9-7-15(3)11-16(19)4/h7-13H,5-6,14H2,1-4H3
InChIKeyDFUBOBKOEFZAJU-UHFFFAOYSA-N
XLogP4.68
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide with MolForge

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Related Compounds

6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide
CID 24675176
2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole
CID 24675149
N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 40664051
2-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-oxazole
CID 24675633
6-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 30028354
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
6-[(4-cyanophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663664
2-(3,5-dimethylphenyl)-5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 24675164
6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40664186
ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 24675013
5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 24675304
2-(2,4-dimethylphenyl)-4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 43052760

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide (CID 24675184) is 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(SCc2coc(-c3ccc(C)cc3C)n2)nc1.
What is the InChIKey of 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is DFUBOBKOEFZAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-5-24(6-2)29(25,26)18-8-10-20(22-12-18)28-14-17-13-27-21(23-17)19-9-7-15(3)11-16(19)4/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 431.58 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 24675184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).