2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide

C14H18N2O3S — CID 20934958

IUPAC2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)NC(C)C)c2)on1
InChIInChI=1S/C14H18N2O3S/c1-9(2)16-20(17,18)14-8-12(6-5-10(14)3)13-7-11(4)15-19-13/h5-9,16H,1-4H3
InChIKeyLBLHGXABXVXWTQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide

2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 20934958) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID20934958
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)NC(C)C)c2)on1
InChIInChI=1S/C14H18N2O3S/c1-9(2)16-20(17,18)14-8-12(6-5-10(14)3)13-7-11(4)15-19-13/h5-9,16H,1-4H3
InChIKeyLBLHGXABXVXWTQ-UHFFFAOYSA-N
XLogP2.65
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938
N-[(3S)-3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 92505391
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 20934908
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylbutyl)benzenesulfonamide
CID 20935805
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935787
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-nitrophenyl)benzenesulfonamide
CID 46336603
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
N-cyclohexyl-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934956
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide (CID 20934958) is 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)NC(C)C)c2)on1.
What is the InChIKey of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LBLHGXABXVXWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9(2)16-20(17,18)14-8-12(6-5-10(14)3)13-7-11(4)15-19-13/h5-9,16H,1-4H3.
What are the key properties of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide?
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 20934958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).