(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide

C14H15NO3S — CID 125143390

IUPAC(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCc1ccc2sccc2c1)[C@@H]1COCCO1
InChIInChI=1S/C14H15NO3S/c16-14(12-9-17-4-5-18-12)15-8-10-1-2-13-11(7-10)3-6-19-13/h1-3,6-7,12H,4-5,8-9H2,(H,15,16)/t12-/m0/s1
InChIKeyQIQVNKTUIBFPDH-LBPRGKRZSA-N
MW277.34 g/mol
LogP1.93
Rot. Bonds3

About (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide

(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide (PubChem CID 125143390) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide
PubChem CID125143390
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCc1ccc2sccc2c1)[C@@H]1COCCO1
InChIInChI=1S/C14H15NO3S/c16-14(12-9-17-4-5-18-12)15-8-10-1-2-13-11(7-10)3-6-19-13/h1-3,6-7,12H,4-5,8-9H2,(H,15,16)/t12-/m0/s1
InChIKeyQIQVNKTUIBFPDH-LBPRGKRZSA-N
XLogP1.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-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

N-(1-benzothiophen-5-ylmethyl)-2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 129009406
N-[[3-(aminomethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 62797794
(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide
CID 94180635
5-[(1,4-dioxane-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81098748
N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 126842029
2-[[[(2R)-1,4-dioxane-2-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 129372490
N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
CID 99940782
(2S)-N-(pyridin-3-ylmethyl)-1,4-dioxane-2-carboxamide
CID 39890239
N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131922995
(2S)-N-[(5-methylthiophen-2-yl)methyl]-1,4-dioxane-2-carboxamide
CID 94200175
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 75461042
(2S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 94160517

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide (CID 125143390) is (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide is O=C(NCc1ccc2sccc2c1)[C@@H]1COCCO1.
What is the InChIKey of (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide?
The InChIKey is QIQVNKTUIBFPDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-14(12-9-17-4-5-18-12)15-8-10-1-2-13-11(7-10)3-6-19-13/h1-3,6-7,12H,4-5,8-9H2,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide?
(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 125143390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).