2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide

C15H22N2O4S — CID 119938248

IUPAC2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2CSCCN2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4S/c1-19-12-5-4-11(14(20-2)15(12)21-3)17-13(18)8-10-9-22-7-6-16-10/h4-5,10,16H,6-9H2,1-3H3,(H,17,18)
InChIKeyWLHNNTQHGOBMLV-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.75
Rot. Bonds6

About 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide

2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 119938248) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID119938248
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2CSCCN2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4S/c1-19-12-5-4-11(14(20-2)15(12)21-3)17-13(18)8-10-9-22-7-6-16-10/h4-5,10,16H,6-9H2,1-3H3,(H,17,18)
InChIKeyWLHNNTQHGOBMLV-UHFFFAOYSA-N
XLogP1.75
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide 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-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119940181
5-methoxy-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 115411406
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938014
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941665
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
methyl 3-(difluoromethoxy)-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119939096
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422239
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide (CID 119938248) is 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(NC(=O)CC2CSCCN2)c(OC)c1OC.
What is the InChIKey of 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is WLHNNTQHGOBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-19-12-5-4-11(14(20-2)15(12)21-3)17-13(18)8-10-9-22-7-6-16-10/h4-5,10,16H,6-9H2,1-3H3,(H,17,18).
What are the key properties of 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide?
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 119938248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).