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

C20H22N2O4S — CID 110641056

IUPAC4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)oc2C)cc1C
InChIInChI=1S/C20H22N2O4S/c1-14-13-17(9-10-19(14)25-3)27(23,24)21-12-11-18-15(2)26-20(22-18)16-7-5-4-6-8-16/h4-10,13,21H,11-12H2,1-3H3
InChIKeyBHGAJCIBLMTBIW-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.49
Rot. Bonds7

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

4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 110641056) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
PubChem CID110641056
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)oc2C)cc1C
InChIInChI=1S/C20H22N2O4S/c1-14-13-17(9-10-19(14)25-3)27(23,24)21-12-11-18-15(2)26-20(22-18)16-7-5-4-6-8-16/h4-10,13,21H,11-12H2,1-3H3
InChIKeyBHGAJCIBLMTBIW-UHFFFAOYSA-N
XLogP3.49
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid
CID 11611667
4-methoxy-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321248
4-methoxy-3-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323804
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320600
4-methoxy-3-methyl-N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 22584332
1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide
CID 110641069
4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 46969297
4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110415497
4-methoxy-3-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110722035
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110294381

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide (CID 110641056) is 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)oc2C)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is BHGAJCIBLMTBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-13-17(9-10-19(14)25-3)27(23,24)21-12-11-18-15(2)26-20(22-18)16-7-5-4-6-8-16/h4-10,13,21H,11-12H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110641056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).