N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide

C22H26N2O4S — CID 47030118

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H26N2O4S/c25-21(22(11-15-28-16-12-22)19-7-2-1-3-8-19)23-13-17-29(26,27)24-14-10-18-6-4-5-9-20(18)24/h1-9H,10-17H2,(H,23,25)
InChIKeyKQXIAJWTMPZWNJ-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 47030118) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide
PubChem CID47030118
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H26N2O4S/c25-21(22(11-15-28-16-12-22)19-7-2-1-3-8-19)23-13-17-29(26,27)24-14-10-18-6-4-5-9-20(18)24/h1-9H,10-17H2,(H,23,25)
InChIKeyKQXIAJWTMPZWNJ-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 121087464
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55662815
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
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946559
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725859
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
CID 90613860
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 51942982
(2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 51943603

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide (CID 47030118) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide is O=C(NCCS(=O)(=O)N1CCc2ccccc21)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is KQXIAJWTMPZWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-21(22(11-15-28-16-12-22)19-7-2-1-3-8-19)23-13-17-29(26,27)24-14-10-18-6-4-5-9-20(18)24/h1-9H,10-17H2,(H,23,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 47030118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).