N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C23H25N3O5S — CID 5309344

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H25N3O5S/c1-4-30-20-11-9-19(10-12-20)26(32(28,29)23-16(2)24-31-17(23)3)15-22(27)25-14-13-18-7-5-6-8-21(18)25/h5-12H,4,13-15H2,1-3H3
InChIKeyALFAFIKICNWORH-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 5309344) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID5309344
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H25N3O5S/c1-4-30-20-11-9-19(10-12-20)26(32(28,29)23-16(2)24-31-17(23)3)15-22(27)25-14-13-18-7-5-6-8-21(18)25/h5-12H,4,13-15H2,1-3H3
InChIKeyALFAFIKICNWORH-UHFFFAOYSA-N
XLogP3.47
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 5309344) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ALFAFIKICNWORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-4-30-20-11-9-19(10-12-20)26(32(28,29)23-16(2)24-31-17(23)3)15-22(27)25-14-13-18-7-5-6-8-21(18)25/h5-12H,4,13-15H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 455.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 5309344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).