5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide

C20H23N3O5S — CID 9224536

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
SMILESCCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC
InChIInChI=1S/C20H23N3O5S/c1-3-21-19(24)13-22-20(25)16-12-15(8-9-18(16)28-2)29(26,27)23-11-10-14-6-4-5-7-17(14)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCPNCCBMJIQEYSD-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.31
Rot. Bonds7

About 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide (PubChem CID 9224536) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
PubChem CID9224536
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
SMILESCCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC
InChIInChI=1S/C20H23N3O5S/c1-3-21-19(24)13-22-20(25)16-12-15(8-9-18(16)28-2)29(26,27)23-11-10-14-6-4-5-7-17(14)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCPNCCBMJIQEYSD-UHFFFAOYSA-N
XLogP1.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
[2-(ethylcarbamoylamino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2632427
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 41152863
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 33041380
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 5094355
ethyl 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoyl]amino]thiadiazole-4-carboxylate
CID 55671175
N-ethyl-2-methoxy-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 132656235
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide (CID 9224536) is 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide is CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is CPNCCBMJIQEYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-3-21-19(24)13-22-20(25)16-12-15(8-9-18(16)28-2)29(26,27)23-11-10-14-6-4-5-7-17(14)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 417.49 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 9224536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).