(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide

C15H20N2O3S — CID 9432046

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-11(15(18)16-13-7-9-21(19,20)10-13)17-8-6-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
InChIKeyQNGWQHPPHNPIEJ-WCQYABFASA-N
MW308.40 g/mol
LogP0.74
Rot. Bonds3

About (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide

(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide (PubChem CID 9432046) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
PubChem CID9432046
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-11(15(18)16-13-7-9-21(19,20)10-13)17-8-6-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
InChIKeyQNGWQHPPHNPIEJ-WCQYABFASA-N
XLogP0.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 9432308
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249253
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2R)-N-(2,3-dichlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 7940820
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
(2R)-N-(4-chloro-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432138
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351828
5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106502
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide?
The IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide (CID 9432046) is (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide is C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide?
The InChIKey is QNGWQHPPHNPIEJ-WCQYABFASA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(15(18)16-13-7-9-21(19,20)10-13)17-8-6-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10H2,1H3,(H,16,18)/t11-,13+/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide?
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide is sourced from PubChem (CID 9432046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).