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

C17H22N2O5S — CID 125123918

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21
InChIInChI=1S/C17H22N2O5S/c1-23-9-8-19-7-5-14-15(19)3-2-4-16(14)24-11-17(20)18-13-6-10-25(21,22)12-13/h2-5,7,13H,6,8-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyPKTIKRYPDLXDSA-CYBMUJFWSA-N
MW366.44 g/mol
LogP0.97
Rot. Bonds7

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

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (PubChem CID 125123918) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
PubChem CID125123918
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21
InChIInChI=1S/C17H22N2O5S/c1-23-9-8-19-7-5-14-15(19)3-2-4-16(14)24-11-17(20)18-13-6-10-25(21,22)12-13/h2-5,7,13H,6,8-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyPKTIKRYPDLXDSA-CYBMUJFWSA-N
XLogP0.97
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
CID 124878602
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
CID 91822129
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-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121240337
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide
CID 71704377
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239933
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-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (CID 125123918) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is COCCn1ccc2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The InChIKey is PKTIKRYPDLXDSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-23-9-8-19-7-5-14-15(19)3-2-4-16(14)24-11-17(20)18-13-6-10-25(21,22)12-13/h2-5,7,13H,6,8-12H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide has a molecular weight of 366.44 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is sourced from PubChem (CID 125123918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).