N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C15H15NO3S — CID 131922995

IUPACN-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NCc2ccc3sccc3c2)OCCO1
InChIInChI=1S/C15H15NO3S/c1-10-14(19-6-5-18-10)15(17)16-9-11-2-3-13-12(8-11)4-7-20-13/h2-4,7-8H,5-6,9H2,1H3,(H,16,17)
InChIKeyVNMJWZDEYBQRPU-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.80
Rot. Bonds3

About N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 131922995) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID131922995
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NCc2ccc3sccc3c2)OCCO1
InChIInChI=1S/C15H15NO3S/c1-10-14(19-6-5-18-10)15(17)16-9-11-2-3-13-12(8-11)4-7-20-13/h2-4,7-8H,5-6,9H2,1H3,(H,16,17)
InChIKeyVNMJWZDEYBQRPU-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide
CID 125143390
N-(1-benzothiophen-5-ylmethyl)-2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 129009406
3-[1-benzothiophen-5-ylmethylcarbamoyl(methyl)amino]propanoic acid
CID 122014671
5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide
CID 70756370
N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
CID 99940782
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388104
4-(1-benzothiophen-5-ylmethylcarbamoylamino)butanoic acid
CID 122014668
2-[(1S)-1-acetamido-2-methylpropyl]-N-(1-benzothiophen-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 171913662
N-(1-benzothiophen-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide
CID 74762753
N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide
CID 50973532
(4S)-4-(1-benzothiophen-5-ylmethylamino)-2-methylpentan-2-ol
CID 95124233
N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131894725

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 131922995) is N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1=C(C(=O)NCc2ccc3sccc3c2)OCCO1.
What is the InChIKey of N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is VNMJWZDEYBQRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-14(19-6-5-18-10)15(17)16-9-11-2-3-13-12(8-11)4-7-20-13/h2-4,7-8H,5-6,9H2,1H3,(H,16,17).
What are the key properties of N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 131922995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).