N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

C18H24N2O4S — CID 108950192

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCCN(C(=O)CC(=O)N1c2ccccc2CC1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O4S/c1-3-19(15-8-9-25(23,24)12-15)17(21)11-18(22)20-13(2)10-14-6-4-5-7-16(14)20/h4-7,13,15H,3,8-12H2,1-2H3
InChIKeyFSXHFDWBMJLXGY-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.39
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108950192) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108950192
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCCN(C(=O)CC(=O)N1c2ccccc2CC1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O4S/c1-3-19(15-8-9-25(23,24)12-15)17(21)11-18(22)20-13(2)10-14-6-4-5-7-16(14)20/h4-7,13,15H,3,8-12H2,1-2H3
InChIKeyFSXHFDWBMJLXGY-UHFFFAOYSA-N
XLogP1.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108978627
[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109238203
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 124730939
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108945230
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
CID 70708192
[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109122979
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide
CID 26685999
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-methylpropanediamide
CID 108946063
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
N-(2,6-difluorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950205
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108950192) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is CCN(C(=O)CC(=O)N1c2ccccc2CC1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is FSXHFDWBMJLXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-3-19(15-8-9-25(23,24)12-15)17(21)11-18(22)20-13(2)10-14-6-4-5-7-16(14)20/h4-7,13,15H,3,8-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 364.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108950192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).