N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide

C15H18N2O4S — CID 124878602

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
SMILESCn1ccc2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21
InChIInChI=1S/C15H18N2O4S/c1-17-7-5-12-13(17)3-2-4-14(12)21-9-15(18)16-11-6-8-22(19,20)10-11/h2-5,7,11H,6,8-10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyLOOYXVDYRMMTJL-LLVKDONJSA-N
MW322.39 g/mol
LogP0.86
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide (PubChem CID 124878602) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
PubChem CID124878602
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
SMILESCn1ccc2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21
InChIInChI=1S/C15H18N2O4S/c1-17-7-5-12-13(17)3-2-4-14(12)21-9-15(18)16-11-6-8-22(19,20)10-11/h2-5,7,11H,6,8-10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyLOOYXVDYRMMTJL-LLVKDONJSA-N
XLogP0.86
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91823205
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 124855022
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
CID 91822129
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 3461875
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18870054
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide (CID 124878602) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide is Cn1ccc2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide?
The InChIKey is LOOYXVDYRMMTJL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-17-7-5-12-13(17)3-2-4-14(12)21-9-15(18)16-11-6-8-22(19,20)10-11/h2-5,7,11H,6,8-10H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide has a molecular weight of 322.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide is sourced from PubChem (CID 124878602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).