3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide

C13H16N2OS2 — CID 112666873

IUPAC3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide
SMILESCSCCN(C)C(=O)c1sc2ccccc2c1N
InChIInChI=1S/C13H16N2OS2/c1-15(7-8-17-2)13(16)12-11(14)9-5-3-4-6-10(9)18-12/h3-6H,7-8,14H2,1-2H3
InChIKeyPLWCKUWWGOXRHU-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.92
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide

3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 112666873) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide
PubChem CID112666873
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide
SMILESCSCCN(C)C(=O)c1sc2ccccc2c1N
InChIInChI=1S/C13H16N2OS2/c1-15(7-8-17-2)13(16)12-11(14)9-5-3-4-6-10(9)18-12/h3-6H,7-8,14H2,1-2H3
InChIKeyPLWCKUWWGOXRHU-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 106918338
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-1-benzothiophene-2-carboxamide
CID 106050602
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 107932169
3-amino-N-[3-(dimethylamino)propyl]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 114289351
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112664377
3-amino-6-bromo-N-(5-hydroxypentyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 107207352
3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 107207347
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982
N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
CID 18113160
2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43241821

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide (CID 112666873) is 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide is CSCCN(C)C(=O)c1sc2ccccc2c1N.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is PLWCKUWWGOXRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-15(7-8-17-2)13(16)12-11(14)9-5-3-4-6-10(9)18-12/h3-6H,7-8,14H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide?
3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 112666873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).