1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate

C23H27N3O6S — CID 55629987

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)c3nc(C(C)(C)C)no3)c2)cc1
InChIInChI=1S/C23H27N3O6S/c1-14-7-12-18(33(28,29)26-16-8-10-17(30-6)11-9-16)13-19(14)21(27)31-15(2)20-24-22(25-32-20)23(3,4)5/h7-13,15,26H,1-6H3
InChIKeySBMPQBFIQBLSAZ-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.40
Rot. Bonds7

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate (PubChem CID 55629987) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate
PubChem CID55629987
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)c3nc(C(C)(C)C)no3)c2)cc1
InChIInChI=1S/C23H27N3O6S/c1-14-7-12-18(33(28,29)26-16-8-10-17(30-6)11-9-16)13-19(14)21(27)31-15(2)20-24-22(25-32-20)23(3,4)5/h7-13,15,26H,1-6H3
InChIKeySBMPQBFIQBLSAZ-UHFFFAOYSA-N
XLogP4.40
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate with MolForge

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Related Compounds

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55554140
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55993514
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55347584
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate (CID 55629987) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)c3nc(C(C)(C)C)no3)c2)cc1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate?
The InChIKey is SBMPQBFIQBLSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-14-7-12-18(33(28,29)26-16-8-10-17(30-6)11-9-16)13-19(14)21(27)31-15(2)20-24-22(25-32-20)23(3,4)5/h7-13,15,26H,1-6H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate has a molecular weight of 473.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 55629987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).