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

C15H20N2O3S — CID 80572389

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide
SMILESO=C(CC1CNc2ccccc21)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c18-15(17-12-4-3-7-21(19,20)10-12)8-11-9-16-14-6-2-1-5-13(11)14/h1-2,5-6,11-12,16H,3-4,7-10H2,(H,17,18)
InChIKeyYLDRWNMXUFBIFL-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.28
Rot. Bonds3

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

2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide (PubChem CID 80572389) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide
PubChem CID80572389
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide
SMILESO=C(CC1CNc2ccccc21)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c18-15(17-12-4-3-7-21(19,20)10-12)8-11-9-16-14-6-2-1-5-13(11)14/h1-2,5-6,11-12,16H,3-4,7-10H2,(H,17,18)
InChIKeyYLDRWNMXUFBIFL-UHFFFAOYSA-N
XLogP1.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.28
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-dioxothiolan-3-yl)acetamide
CID 80573852
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407
N-cyclopentyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
CID 115105541
N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80572825
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 80567207

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide (CID 80572389) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide is O=C(CC1CNc2ccccc21)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide?
The InChIKey is YLDRWNMXUFBIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15(17-12-4-3-7-21(19,20)10-12)8-11-9-16-14-6-2-1-5-13(11)14/h1-2,5-6,11-12,16H,3-4,7-10H2,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 1.28, 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-dioxothian-3-yl)acetamide is sourced from PubChem (CID 80572389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).