[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium

C19H23N2O3S+ — CID 8005767

IUPAC[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESCOc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)c(C)c2c1
InChIInChI=1S/C19H22N2O3S/c1-12-14-10-13(23-4)7-8-16(14)24-18(12)19(22)20-11-15(21(2)3)17-6-5-9-25-17/h5-10,15H,11H2,1-4H3,(H,20,22)/p+1/t15-/m1/s1
InChIKeyGYFPHXCRPSJORY-OAHLLOKOSA-O
MW359.47 g/mol
LogP2.43
Rot. Bonds6

About [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium

[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium (PubChem CID 8005767) has the molecular formula C19H23N2O3S+ and a molecular weight of 359.47 g/mol. Its IUPAC name is [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
PubChem CID8005767
Molecular FormulaC19H23N2O3S+
Molecular Weight359.47 g/mol
Exact Mass359.14
IUPAC Name[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESCOc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)c(C)c2c1
InChIInChI=1S/C19H22N2O3S/c1-12-14-10-13(23-4)7-8-16(14)24-18(12)19(22)20-11-15(21(2)3)17-6-5-9-25-17/h5-10,15H,11H2,1-4H3,(H,20,22)/p+1/t15-/m1/s1
InChIKeyGYFPHXCRPSJORY-OAHLLOKOSA-O
XLogP2.43
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium with MolForge

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Related Compounds

[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504369
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
CID 51332390
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 52895585
N-[2-(methanesulfonamido)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 86922051
3,5-dimethyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35579101
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 35579887
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55338840

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium (CID 8005767) is [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium is COc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)c(C)c2c1.
What is the InChIKey of [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The InChIKey is GYFPHXCRPSJORY-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H22N2O3S/c1-12-14-10-13(23-4)7-8-16(14)24-18(12)19(22)20-11-15(21(2)3)17-6-5-9-25-17/h5-10,15H,11H2,1-4H3,(H,20,22)/p+1/t15-/m1/s1.
What are the key properties of [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium?
[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium has a molecular weight of 359.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium is sourced from PubChem (CID 8005767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).