1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

C25H31N3O5S — CID 55438508

IUPAC1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1ccccc1N1CC(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)CC1=O
InChIInChI=1S/C25H31N3O5S/c1-4-26(5-2)34(31,32)20-11-12-21-18(15-20)13-14-27(21)25(30)19-16-24(29)28(17-19)22-9-7-8-10-23(22)33-6-3/h7-12,15,19H,4-6,13-14,16-17H2,1-3H3
InChIKeyBWUJDJQAEGMYLU-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.06
Rot. Bonds8

About 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55438508) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55438508
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1ccccc1N1CC(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)CC1=O
InChIInChI=1S/C25H31N3O5S/c1-4-26(5-2)34(31,32)20-11-12-21-18(15-20)13-14-27(21)25(30)19-16-24(29)28(17-19)22-9-7-8-10-23(22)33-6-3/h7-12,15,19H,4-6,13-14,16-17H2,1-3H3
InChIKeyBWUJDJQAEGMYLU-UHFFFAOYSA-N
XLogP3.06
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 30840724
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
4-[(4S)-4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-2-oxopyrrolidin-1-yl]-N,N-diethylbenzenesulfonamide
CID 39911262
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55717950
N-butyl-1-(cyclobutanecarbonyl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 15999100
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098430
N,N-diethyl-1-(piperidine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 119274837
1-(3-aminocyclohexanecarbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 119696140

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (CID 55438508) is 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is CCOc1ccccc1N1CC(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)CC1=O.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BWUJDJQAEGMYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-4-26(5-2)34(31,32)20-11-12-21-18(15-20)13-14-27(21)25(30)19-16-24(29)28(17-19)22-9-7-8-10-23(22)33-6-3/h7-12,15,19H,4-6,13-14,16-17H2,1-3H3.
What are the key properties of 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 485.61 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55438508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).