N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide

C16H20N2O3S — CID 71702598

IUPACN-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
SMILESCn1cc(CCC(=O)NC2CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C16H20N2O3S/c1-18-10-12(14-4-2-3-5-15(14)18)6-7-16(19)17-13-8-9-22(20,21)11-13/h2-5,10,13H,6-9,11H2,1H3,(H,17,19)
InChIKeyZMFJUFKCKGJWDE-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.41
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide

N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 71702598) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
PubChem CID71702598
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
SMILESCn1cc(CCC(=O)NC2CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C16H20N2O3S/c1-18-10-12(14-4-2-3-5-15(14)18)6-7-16(19)17-13-8-9-22(20,21)11-13/h2-5,10,13H,6-9,11H2,1H3,(H,17,19)
InChIKeyZMFJUFKCKGJWDE-UHFFFAOYSA-N
XLogP1.41
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide
CID 71704377
cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678962
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 110852886
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-(1-methylindol-3-yl)propan-1-one
CID 71701113
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
3-(1-methylindol-3-yl)-N-(1-pyridin-2-ylazetidin-3-yl)propanamide
CID 154847663
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137647
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 27710609
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
CID 124878602

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide (CID 71702598) is N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide is Cn1cc(CCC(=O)NC2CCS(=O)(=O)C2)c2ccccc21.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is ZMFJUFKCKGJWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-18-10-12(14-4-2-3-5-15(14)18)6-7-16(19)17-13-8-9-22(20,21)11-13/h2-5,10,13H,6-9,11H2,1H3,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide?
N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 320.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 71702598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).