methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate

C24H27N3O5S — CID 151610280

IUPACmethyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate
SMILESCCc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2ccno2)ccc1N1CCCCC1
InChIInChI=1S/C24H27N3O5S/c1-3-17-7-8-19(24(28)31-2)16-23(17)33(29,30)26-20-15-18(22-11-12-25-32-22)9-10-21(20)27-13-5-4-6-14-27/h7-12,15-16,26H,3-6,13-14H2,1-2H3
InChIKeyQMIQHFBHCXHGFL-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.48
Rot. Bonds7

About methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate

methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate (PubChem CID 151610280) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate
PubChem CID151610280
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Namemethyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate
SMILESCCc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2ccno2)ccc1N1CCCCC1
InChIInChI=1S/C24H27N3O5S/c1-3-17-7-8-19(24(28)31-2)16-23(17)33(29,30)26-20-15-18(22-11-12-25-32-22)9-10-21(20)27-13-5-4-6-14-27/h7-12,15-16,26H,3-6,13-14H2,1-2H3
InChIKeyQMIQHFBHCXHGFL-UHFFFAOYSA-N
XLogP4.48
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 3-[[5-chloro-2-(3,3-difluoropiperidin-1-yl)phenyl]sulfamoyl]-4-ethylbenzoate
CID 151464029
methyl 4-ethyl-3-[[2-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 166756989
methyl 4-hydroxy-3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 156773332
methyl 4-ethyl-3-[[2-(3-fluoropiperidin-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 166756929
3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 73437637
4-ethyl-3-[[2-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 166756980
methyl 3-[[2-bromo-5-(trifluoromethyl)phenyl]sulfamoyl]-4-ethylbenzoate
CID 155271841
methyl 3-[(2-bromo-5-methylsulfonylphenyl)sulfamoyl]-4-ethylbenzoate
CID 155271638
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
methyl 3-[(5-cyano-2-pyridin-2-ylphenyl)sulfamoyl]-4-ethylbenzoate
CID 155272018
azanium 4-methoxy-3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 86765332
methyl 3-(2-methylbutanoylamino)-4-pyrrolidin-1-ylbenzoate
CID 51337619

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate (CID 151610280) is methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate is CCc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2ccno2)ccc1N1CCCCC1.
What is the InChIKey of methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate?
The InChIKey is QMIQHFBHCXHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-3-17-7-8-19(24(28)31-2)16-23(17)33(29,30)26-20-15-18(22-11-12-25-32-22)9-10-21(20)27-13-5-4-6-14-27/h7-12,15-16,26H,3-6,13-14H2,1-2H3.
What are the key properties of methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate?
methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate has a molecular weight of 469.56 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-3-[[5-(1,2-oxazol-5-yl)-2-piperidin-1-ylphenyl]sulfamoyl]benzoate is sourced from PubChem (CID 151610280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).