[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium

C19H23N2O3S+ — CID 8504369

IUPAC[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESCOc1ccc2c(CC(=O)NC[C@H](c3cccs3)[NH+](C)C)coc2c1
InChIInChI=1S/C19H22N2O3S/c1-21(2)16(18-5-4-8-25-18)11-20-19(22)9-13-12-24-17-10-14(23-3)6-7-15(13)17/h4-8,10,12,16H,9,11H2,1-3H3,(H,20,22)/p+1/t16-/m1/s1
InChIKeyCVEISOXJWBSIRH-MRXNPFEDSA-O
MW359.47 g/mol
LogP2.05
Rot. Bonds7

About [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium

[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium (PubChem CID 8504369) has the molecular formula C19H23N2O3S+ and a molecular weight of 359.47 g/mol. Its IUPAC name is [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
PubChem CID8504369
Molecular FormulaC19H23N2O3S+
Molecular Weight359.47 g/mol
Exact Mass359.14
IUPAC Name[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESCOc1ccc2c(CC(=O)NC[C@H](c3cccs3)[NH+](C)C)coc2c1
InChIInChI=1S/C19H22N2O3S/c1-21(2)16(18-5-4-8-25-18)11-20-19(22)9-13-12-24-17-10-14(23-3)6-7-15(13)17/h4-8,10,12,16H,9,11H2,1-3H3,(H,20,22)/p+1/t16-/m1/s1
InChIKeyCVEISOXJWBSIRH-MRXNPFEDSA-O
XLogP2.05
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium with MolForge

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Related Compounds

[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8005767
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 55747538
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46806072
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9399035
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 86858133
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium (CID 8504369) is [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium is COc1ccc2c(CC(=O)NC[C@H](c3cccs3)[NH+](C)C)coc2c1.
What is the InChIKey of [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The InChIKey is CVEISOXJWBSIRH-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H22N2O3S/c1-21(2)16(18-5-4-8-25-18)11-20-19(22)9-13-12-24-17-10-14(23-3)6-7-15(13)17/h4-8,10,12,16H,9,11H2,1-3H3,(H,20,22)/p+1/t16-/m1/s1.
What are the key properties of [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium?
[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium has a molecular weight of 359.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium is sourced from PubChem (CID 8504369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).