N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide

C13H16N2O2S — CID 102503587

IUPACN-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide
SMILESCON(C)C(=O)CC1(C)C(=S)Nc2ccccc21
InChIInChI=1S/C13H16N2O2S/c1-13(8-11(16)15(2)17-3)9-6-4-5-7-10(9)14-12(13)18/h4-7H,8H2,1-3H3,(H,14,18)
InChIKeySGWRPYLMMMDPHB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.11
Rot. Bonds3

About N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide

N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide (PubChem CID 102503587) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide
PubChem CID102503587
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide
SMILESCON(C)C(=O)CC1(C)C(=S)Nc2ccccc21
InChIInChI=1S/C13H16N2O2S/c1-13(8-11(16)15(2)17-3)9-6-4-5-7-10(9)14-12(13)18/h4-7H,8H2,1-3H3,(H,14,18)
InChIKeySGWRPYLMMMDPHB-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3S)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetate
CID 125489935
N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide
CID 125489947
9-ethyl-9-methyl-10H-acridine
CID 22754271
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide
CID 132821040
N'-methoxy-N'-methyl-N-phenyloctanediamide
CID 71376590
(9-phenyl-10H-acridin-9-yl) propanoate
CID 14400641
1,2,2a,8b-tetramethyl-4H-cyclobuta[c]quinoline-3-thione
CID 3398163
ethane;3-(2-ethoxyethyl)-3-methyl-1H-indol-2-one;ethyl propanoate
CID 143412746
2-(3-benzylphenyl)-N-methoxy-N-methylacetamide
CID 131737866

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide?
The IUPAC name of N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide (CID 102503587) is N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide is CON(C)C(=O)CC1(C)C(=S)Nc2ccccc21.
What is the InChIKey of N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide?
The InChIKey is SGWRPYLMMMDPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(8-11(16)15(2)17-3)9-6-4-5-7-10(9)14-12(13)18/h4-7H,8H2,1-3H3,(H,14,18).
What are the key properties of N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide?
N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide is sourced from PubChem (CID 102503587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).