dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium

C20H23N2OS+ — CID 8533507

IUPACdimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
SMILESCc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)sc2ccccc12
InChIInChI=1S/C20H22N2OS/c1-14-17-6-4-5-7-18(17)24-19(14)20(23)21-12-15-8-10-16(11-9-15)13-22(2)3/h4-11H,12-13H2,1-3H3,(H,21,23)/p+1
InChIKeyURFNYPJGVMULMD-UHFFFAOYSA-O
MW339.48 g/mol
LogP2.78
Rot. Bonds5

About dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium

dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium (PubChem CID 8533507) has the molecular formula C20H23N2OS+ and a molecular weight of 339.48 g/mol. Its IUPAC name is dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
PubChem CID8533507
Molecular FormulaC20H23N2OS+
Molecular Weight339.48 g/mol
Exact Mass339.15
IUPAC Namedimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
SMILESCc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)sc2ccccc12
InChIInChI=1S/C20H22N2OS/c1-14-17-6-4-5-7-18(17)24-19(14)20(23)21-12-15-8-10-16(11-9-15)13-22(2)3/h4-11H,12-13H2,1-3H3,(H,21,23)/p+1
InChIKeyURFNYPJGVMULMD-UHFFFAOYSA-O
XLogP2.78
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8869235
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
[4-[[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl-dimethylazanium
CID 8533352
3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 47068455
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-methyl-4-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 81064657
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 18160860
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 104630064
N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
CID 57050332
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 103690758
3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38543150

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium?
The IUPAC name of dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium (CID 8533507) is dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium?
The canonical SMILES for dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium is Cc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)sc2ccccc12.
What is the InChIKey of dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium?
The InChIKey is URFNYPJGVMULMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N2OS/c1-14-17-6-4-5-7-18(17)24-19(14)20(23)21-12-15-8-10-16(11-9-15)13-22(2)3/h4-11H,12-13H2,1-3H3,(H,21,23)/p+1.
What are the key properties of dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium?
dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium has a molecular weight of 339.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 8533507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).