N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H22N2O3S — CID 100730820

IUPACN-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H22N2O3S/c1-6-15(14-8-7-10(2)11(3)9-14)18-22(19,20)16-12(4)17-21-13(16)5/h7-9,15,18H,6H2,1-5H3/t15-/m1/s1
InChIKeySUUKSNKMQGXVPE-OAHLLOKOSA-N
MW322.43 g/mol
LogP3.34
Rot. Bonds5

About N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 100730820) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID100730820
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H22N2O3S/c1-6-15(14-8-7-10(2)11(3)9-14)18-22(19,20)16-12(4)17-21-13(16)5/h7-9,15,18H,6H2,1-5H3/t15-/m1/s1
InChIKeySUUKSNKMQGXVPE-OAHLLOKOSA-N
XLogP3.34
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-5-(3,5-Dimethylisoxazol-4-Yl)-2-Methylbenzenesulfonamide
CID 53054259
N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
CID 53054289
3,5-Dimethyl-N-{2-[4-(4-Methylbenzyl)piperidin-1-Yl]-3,4-Dioxocyclobut-1-En-1-Yl}-1,2-Oxazole-4-Sulfonamide
CID 90684390
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
1-({3-Methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-YL}sulfonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 16029461
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 4988738
3,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-4-sulfonamide
CID 8061730
2''-Aminomethyl-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10573784
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
CID 3861893
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 3241534

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 100730820) is N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SUUKSNKMQGXVPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-6-15(14-8-7-10(2)11(3)9-14)18-22(19,20)16-12(4)17-21-13(16)5/h7-9,15,18H,6H2,1-5H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 100730820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).