N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide

C19H22N2O3S — CID 7231252

IUPACN-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESCCN(C[C@H]1CC(c2ccc(C)cc2)=NO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-3-21(25(22,23)18-7-5-4-6-8-18)14-17-13-19(20-24-17)16-11-9-15(2)10-12-16/h4-12,17H,3,13-14H2,1-2H3/t17-/m1/s1
InChIKeyJLIRAMMKSLBQIP-QGZVFWFLSA-N
MW358.46 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide

N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide (PubChem CID 7231252) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide
PubChem CID7231252
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESCCN(C[C@H]1CC(c2ccc(C)cc2)=NO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-3-21(25(22,23)18-7-5-4-6-8-18)14-17-13-19(20-24-17)16-11-9-15(2)10-12-16/h4-12,17H,3,13-14H2,1-2H3/t17-/m1/s1
InChIKeyJLIRAMMKSLBQIP-QGZVFWFLSA-N
XLogP3.20
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide (CID 7231252) is N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide is CCN(C[C@H]1CC(c2ccc(C)cc2)=NO1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is JLIRAMMKSLBQIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-21(25(22,23)18-7-5-4-6-8-18)14-17-13-19(20-24-17)16-11-9-15(2)10-12-16/h4-12,17H,3,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 7231252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).