ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate

C26H28N2O5S — CID 69362996

IUPACethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1cccc(OCc2ccccc2)c1)S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C26H28N2O5S/c1-2-32-26(29)19-27(34(30,31)28-16-15-23-12-6-7-14-25(23)28)18-22-11-8-13-24(17-22)33-20-21-9-4-3-5-10-21/h3-14,17H,2,15-16,18-20H2,1H3
InChIKeyKPYKKGRCNWNDLD-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.94
Rot. Bonds10

About ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate

ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate (PubChem CID 69362996) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate
PubChem CID69362996
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Nameethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1cccc(OCc2ccccc2)c1)S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C26H28N2O5S/c1-2-32-26(29)19-27(34(30,31)28-16-15-23-12-6-7-14-25(23)28)18-22-11-8-13-24(17-22)33-20-21-9-4-3-5-10-21/h3-14,17H,2,15-16,18-20H2,1H3
InChIKeyKPYKKGRCNWNDLD-UHFFFAOYSA-N
XLogP3.94
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate (CID 69362996) is ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate is CCOC(=O)CN(Cc1cccc(OCc2ccccc2)c1)S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate?
The InChIKey is KPYKKGRCNWNDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-2-32-26(29)19-27(34(30,31)28-16-15-23-12-6-7-14-25(23)28)18-22-11-8-13-24(17-22)33-20-21-9-4-3-5-10-21/h3-14,17H,2,15-16,18-20H2,1H3.
What are the key properties of ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate?
ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate has a molecular weight of 480.59 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[(3-phenylmethoxyphenyl)methyl]amino]acetate is sourced from PubChem (CID 69362996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).