N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide

C23H24N2O5S — CID 2086440

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)Cc2ccco2)cc1
InChIInChI=1S/C23H24N2O5S/c1-2-29-19-9-11-21(12-10-19)31(27,28)24(16-20-7-5-15-30-20)17-23(26)25-14-13-18-6-3-4-8-22(18)25/h3-12,15H,2,13-14,16-17H2,1H3
InChIKeyOCVIHMNQSNUJLU-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.46
Rot. Bonds8

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2086440) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2086440
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)Cc2ccco2)cc1
InChIInChI=1S/C23H24N2O5S/c1-2-29-19-9-11-21(12-10-19)31(27,28)24(16-20-7-5-15-30-20)17-23(26)25-14-13-18-6-3-4-8-22(18)25/h3-12,15H,2,13-14,16-17H2,1H3
InChIKeyOCVIHMNQSNUJLU-UHFFFAOYSA-N
XLogP3.46
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2086440) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)Cc2ccco2)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is OCVIHMNQSNUJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-2-29-19-9-11-21(12-10-19)31(27,28)24(16-20-7-5-15-30-20)17-23(26)25-14-13-18-6-3-4-8-22(18)25/h3-12,15H,2,13-14,16-17H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 440.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2086440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).