3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide

C19H26N2O2S — CID 96521737

IUPAC3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
SMILESCS[C@@H]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)C1
InChIInChI=1S/C19H26N2O2S/c1-20(2)12-16-15-7-5-6-8-17(15)23-18(16)19(22)21(3)13-9-10-14(11-13)24-4/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m1/s1
InChIKeyGYJNVQBBOJWAGX-ZIAGYGMSSA-N
MW346.50 g/mol
LogP3.85
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide

3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide (PubChem CID 96521737) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
PubChem CID96521737
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
SMILESCS[C@@H]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)C1
InChIInChI=1S/C19H26N2O2S/c1-20(2)12-16-15-7-5-6-8-17(15)23-18(16)19(22)21(3)13-9-10-14(11-13)24-4/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m1/s1
InChIKeyGYJNVQBBOJWAGX-ZIAGYGMSSA-N
XLogP3.85
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
CID 96521734
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95934248
N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18287633
[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646767
3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
CID 119462752
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-[[methyl(piperidin-4-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 61404819
3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111484704
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177
3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
CID 119427274

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide (CID 96521737) is 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide is CS[C@@H]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide?
The InChIKey is GYJNVQBBOJWAGX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-20(2)12-16-15-7-5-6-8-17(15)23-18(16)19(22)21(3)13-9-10-14(11-13)24-4/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96521737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).