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

C19H21N3O3S2 — CID 24675176

IUPAC6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N(C)C)cn3)co2)c(C)c1
InChIInChI=1S/C19H21N3O3S2/c1-13-5-7-17(14(2)9-13)19-21-15(11-25-19)12-26-18-8-6-16(10-20-18)27(23,24)22(3)4/h5-11H,12H2,1-4H3
InChIKeySUHLDZLIRQHASL-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.90
Rot. Bonds6

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

6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 24675176) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID24675176
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N(C)C)cn3)co2)c(C)c1
InChIInChI=1S/C19H21N3O3S2/c1-13-5-7-17(14(2)9-13)19-21-15(11-25-19)12-26-18-8-6-16(10-20-18)27(23,24)22(3)4/h5-11H,12H2,1-4H3
InChIKeySUHLDZLIRQHASL-UHFFFAOYSA-N
XLogP3.90
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide (CID 24675176) is 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide is Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N(C)C)cn3)co2)c(C)c1.
What is the InChIKey of 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is SUHLDZLIRQHASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-13-5-7-17(14(2)9-13)19-21-15(11-25-19)12-26-18-8-6-16(10-20-18)27(23,24)22(3)4/h5-11H,12H2,1-4H3.
What are the key properties of 6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide?
6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 403.53 g/mol, XLogP of 3.90, 6 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-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 24675176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).