N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C20H20N2O5S — CID 51942982

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C20H20N2O5S/c23-19(13-18-15-6-2-3-7-16(15)20(24)27-18)21-10-12-28(25,26)22-11-9-14-5-1-4-8-17(14)22/h1-8,18H,9-13H2,(H,21,23)/t18-/m1/s1
InChIKeyJHQPBOLIXUJRSG-GOSISDBHSA-N
MW400.46 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 51942982) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID51942982
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C20H20N2O5S/c23-19(13-18-15-6-2-3-7-16(15)20(24)27-18)21-10-12-28(25,26)22-11-9-14-5-1-4-8-17(14)22/h1-8,18H,9-13H2,(H,21,23)/t18-/m1/s1
InChIKeyJHQPBOLIXUJRSG-GOSISDBHSA-N
XLogP1.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
CID 124831156
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide
CID 47030118
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55662815
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55662640
N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 7986718
N-cyclopropyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4791695
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 47029289
N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 2999418

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 51942982) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is O=C(C[C@H]1OC(=O)c2ccccc21)NCCS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is JHQPBOLIXUJRSG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2O5S/c23-19(13-18-15-6-2-3-7-16(15)20(24)27-18)21-10-12-28(25,26)22-11-9-14-5-1-4-8-17(14)22/h1-8,18H,9-13H2,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 51942982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).