N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C15H20N2O3S — CID 46458732

IUPACN-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(C)noc2C)c(C)c1
InChIInChI=1S/C15H20N2O3S/c1-10-6-7-14(11(2)8-10)9-17(5)21(18,19)15-12(3)16-20-13(15)4/h6-8H,9H2,1-5H3
InChIKeyWPENIIOJEYKNTG-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.73
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 46458732) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID46458732
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(C)noc2C)c(C)c1
InChIInChI=1S/C15H20N2O3S/c1-10-6-7-14(11(2)8-10)9-17(5)21(18,19)15-12(3)16-20-13(15)4/h6-8H,9H2,1-5H3
InChIKeyWPENIIOJEYKNTG-UHFFFAOYSA-N
XLogP2.73
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 24608462
N,3,5-trimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94872741
N-(1,3-benzodioxol-5-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 43029551
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47318835
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 19916035
N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 35527395
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide
CID 61040966
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]-4-methylbenzamide
CID 110636092
5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113670
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N-(1H-imidazol-2-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 64518245
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 154880534

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 46458732) is N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2c(C)noc2C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is WPENIIOJEYKNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-6-7-14(11(2)8-10)9-17(5)21(18,19)15-12(3)16-20-13(15)4/h6-8H,9H2,1-5H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 46458732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).