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

C22H23N3O5S — CID 3235841

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H23N3O5S/c1-15-22(16(2)30-23-15)31(27,28)25(18-8-10-19(29-3)11-9-18)14-21(26)24-13-12-17-6-4-5-7-20(17)24/h4-11H,12-14H2,1-3H3
InChIKeyMJMOFPKCZWOZMM-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.08
Rot. Bonds6

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

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3235841) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3235841
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H23N3O5S/c1-15-22(16(2)30-23-15)31(27,28)25(18-8-10-19(29-3)11-9-18)14-21(26)24-13-12-17-6-4-5-7-20(17)24/h4-11H,12-14H2,1-3H3
InChIKeyMJMOFPKCZWOZMM-UHFFFAOYSA-N
XLogP3.08
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.08
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-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3235841) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-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-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(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-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MJMOFPKCZWOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15-22(16(2)30-23-15)31(27,28)25(18-8-10-19(29-3)11-9-18)14-21(26)24-13-12-17-6-4-5-7-20(17)24/h4-11H,12-14H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 441.51 g/mol, XLogP of 3.08, 6 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-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3235841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).