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

C17H22N2O3S — CID 110852886

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide
SMILESCN(C(=O)CCc1cn(C)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O3S/c1-18-11-13(15-5-3-4-6-16(15)18)7-8-17(20)19(2)14-9-10-23(21,22)12-14/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyNIWRFNAQCLNBHR-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.76
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide (PubChem CID 110852886) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide
PubChem CID110852886
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide
SMILESCN(C(=O)CCc1cn(C)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O3S/c1-18-11-13(15-5-3-4-6-16(15)18)7-8-17(20)19(2)14-9-10-23(21,22)12-14/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyNIWRFNAQCLNBHR-UHFFFAOYSA-N
XLogP1.76
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
CID 71702598
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-(1-methylindol-3-yl)propan-1-one
CID 71701113
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18152364
3-(2,5-dimethylpyrrol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110688958
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methylindol-3-yl)sulfanylacetamide
CID 97133847
1-[methyl-[3-(1-methylindol-3-yl)propanoyl]amino]cyclopentane-1-carboxamide
CID 75498930
3-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110294969
3-(N-acetyl-2-ethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113125203
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(2-methylphenoxy)butanamide
CID 127115901
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152365
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169394

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide (CID 110852886) is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide is CN(C(=O)CCc1cn(C)c2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide?
The InChIKey is NIWRFNAQCLNBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-18-11-13(15-5-3-4-6-16(15)18)7-8-17(20)19(2)14-9-10-23(21,22)12-14/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide has a molecular weight of 334.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 110852886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).