2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

C14H18N2O3S — CID 80573852

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CNc2ccccc21)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O3S/c17-14(16-11-5-6-20(18,19)9-11)7-10-8-15-13-4-2-1-3-12(10)13/h1-4,10-11,15H,5-9H2,(H,16,17)
InChIKeyXCTFVNVKXAEVSN-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.89
Rot. Bonds3

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 80573852) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID80573852
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CNc2ccccc21)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O3S/c17-14(16-11-5-6-20(18,19)9-11)7-10-8-15-13-4-2-1-3-12(10)13/h1-4,10-11,15H,5-9H2,(H,16,17)
InChIKeyXCTFVNVKXAEVSN-UHFFFAOYSA-N
XLogP0.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide
CID 80572389
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80572825
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 97426251
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
N-cyclopentyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
CID 115105541
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 80573852) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CNc2ccccc21)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is XCTFVNVKXAEVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14(16-11-5-6-20(18,19)9-11)7-10-8-15-13-4-2-1-3-12(10)13/h1-4,10-11,15H,5-9H2,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 80573852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).