5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide

C13H16N2O2S — CID 57269820

IUPAC5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide
SMILESCNC(=O)c1c(SC)c2cc(OC)ccc2n1C
InChIInChI=1S/C13H16N2O2S/c1-14-13(16)11-12(18-4)9-7-8(17-3)5-6-10(9)15(11)2/h5-7H,1-4H3,(H,14,16)
InChIKeyTWNCZGCHDJKRQF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.27
Rot. Bonds3

About 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide

5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide (PubChem CID 57269820) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide
PubChem CID57269820
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide
SMILESCNC(=O)c1c(SC)c2cc(OC)ccc2n1C
InChIInChI=1S/C13H16N2O2S/c1-14-13(16)11-12(18-4)9-7-8(17-3)5-6-10(9)15(11)2/h5-7H,1-4H3,(H,14,16)
InChIKeyTWNCZGCHDJKRQF-UHFFFAOYSA-N
XLogP2.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide
CID 54541909
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
CID 19082416
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
4-chloro-6-methoxy-1-methylquinolin-2-one
CID 11673021
1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone
CID 135060319
5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915810
5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 174893030
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide?
The IUPAC name of 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide (CID 57269820) is 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide?
The canonical SMILES for 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide is CNC(=O)c1c(SC)c2cc(OC)ccc2n1C.
What is the InChIKey of 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide?
The InChIKey is TWNCZGCHDJKRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-14-13(16)11-12(18-4)9-7-8(17-3)5-6-10(9)15(11)2/h5-7H,1-4H3,(H,14,16).
What are the key properties of 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide?
5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide is sourced from PubChem (CID 57269820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).