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

C18H24N2O4S — CID 91822129

IUPACN-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
SMILESCC(C)Cn1ccc2c(OCC(=O)NC3CCS(=O)(=O)C3)cccc21
InChIInChI=1S/C18H24N2O4S/c1-13(2)10-20-8-6-15-16(20)4-3-5-17(15)24-11-18(21)19-14-7-9-25(22,23)12-14/h3-6,8,13-14H,7,9-12H2,1-2H3,(H,19,21)
InChIKeyPVBLMQGDARZKDO-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.98
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide (PubChem CID 91822129) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
PubChem CID91822129
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
SMILESCC(C)Cn1ccc2c(OCC(=O)NC3CCS(=O)(=O)C3)cccc21
InChIInChI=1S/C18H24N2O4S/c1-13(2)10-20-8-6-15-16(20)4-3-5-17(15)24-11-18(21)19-14-7-9-25(22,23)12-14/h3-6,8,13-14H,7,9-12H2,1-2H3,(H,19,21)
InChIKeyPVBLMQGDARZKDO-UHFFFAOYSA-N
XLogP1.98
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.98
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-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
CID 124878602
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
[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-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
CID 91822697
N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
CID 86207176
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide (CID 91822129) is N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide is CC(C)Cn1ccc2c(OCC(=O)NC3CCS(=O)(=O)C3)cccc21.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide?
The InChIKey is PVBLMQGDARZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13(2)10-20-8-6-15-16(20)4-3-5-17(15)24-11-18(21)19-14-7-9-25(22,23)12-14/h3-6,8,13-14H,7,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide?
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide has a molecular weight of 364.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide is sourced from PubChem (CID 91822129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).