4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide

C19H20N2O4S — CID 110414959

IUPAC4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C19H20N2O4S/c1-14-18(21-19(25-14)15-6-4-3-5-7-15)12-13-20-26(22,23)17-10-8-16(24-2)9-11-17/h3-11,20H,12-13H2,1-2H3
InChIKeySIOMXYJBCBGVNQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.18
Rot. Bonds7

About 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 110414959) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
PubChem CID110414959
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C19H20N2O4S/c1-14-18(21-19(25-14)15-6-4-3-5-7-15)12-13-20-26(22,23)17-10-8-16(24-2)9-11-17/h3-11,20H,12-13H2,1-2H3
InChIKeySIOMXYJBCBGVNQ-UHFFFAOYSA-N
XLogP3.18
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110641056
5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid
CID 11611667
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223
4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide
CID 110641069
4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
CID 110415379
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide
CID 110415378
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 16588563
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid
CID 22087435

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide (CID 110414959) is 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SIOMXYJBCBGVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14-18(21-19(25-14)15-6-4-3-5-7-15)12-13-20-26(22,23)17-10-8-16(24-2)9-11-17/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110414959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).